UCSF

ZINC20612175

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 32 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) 3.95 9.55 -24.44 1 6 0 70 432.52 4
Hi High (pH 8-9.5) 3.95 7.23 -44.1 0 6 -1 69 431.512 4
Mid Mid (pH 6-8) 3.95 8.82 -40.86 2 6 1 67 433.528 4
Mid Mid (pH 6-8) 3.95 9.61 -49.98 1 6 0 70 432.52 4
Mid Mid (pH 6-8) 3.95 6.45 -14.17 1 6 0 66 432.52 4
Lo Low (pH 4.5-6) 3.95 8.75 -40.71 2 6 1 67 433.528 4

Activity (Go SEA)

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