UCSF

ZINC19519645

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 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) 0.30 3.17 -40.65 4 5 1 66 263.365 4
Mid Mid (pH 6-8) 0.30 3.18 -40.28 4 5 1 66 263.365 4
Mid Mid (pH 6-8) 0.30 0.79 -9.32 3 5 0 65 262.357 4

Activity (Go SEA)

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