UCSF

ZINC20503807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 28 No

Download: MOL2 SDF SMILES Flexibase

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) 3.60 9.28 -28.28 1 5 0 61 378.472 4
Hi High (pH 8-9.5) 3.60 6.94 -41.82 0 5 -1 60 377.464 4
Mid Mid (pH 6-8) 3.60 8.47 -43.93 2 5 1 58 379.48 4
Mid Mid (pH 6-8) 3.60 9.26 -45.36 1 5 0 61 378.472 4
Mid Mid (pH 6-8) 3.60 6.15 -12.65 1 5 0 57 378.472 4
Lo Low (pH 4.5-6) 3.60 8.48 -42.24 2 5 1 58 379.48 4

Activity (Go SEA)

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