UCSF

ZINC37142391

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 1.05 6.44 -42.98 2 5 1 46 298.451 4
Mid Mid (pH 6-8) 1.05 7.21 -120.62 3 5 2 51 299.459 4

Activity (Go SEA)

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