UCSF

ZINC45663275

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.79 8.11 -94.51 3 3 2 34 279.453 7
Mid Mid (pH 6-8) 2.79 6.92 -38.36 2 3 1 29 278.445 7

Activity (Go SEA)

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