UCSF

ZINC20533334

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 28 No

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 8.46 -27.78 1 5 0 61 382.435 4
Hi High (pH 8-9.5) 3.34 6.13 -39.68 0 5 -1 60 381.427 4
Mid Mid (pH 6-8) 3.34 7.7 -44.97 2 5 1 58 383.443 4
Mid Mid (pH 6-8) 3.34 8.5 -52.52 1 5 0 61 382.435 4
Mid Mid (pH 6-8) 3.34 5.33 -11.2 1 5 0 57 382.435 4
Lo Low (pH 4.5-6) 3.34 7.66 -45.4 2 5 1 58 383.443 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )