UCSF

ZINC37186470

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 Yes

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) 0.64 3.91 -38.01 2 4 1 40 242.387 5
Mid Mid (pH 6-8) 0.64 6.11 -102.03 3 4 2 41 243.395 5

Activity (Go SEA)

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