UCSF

ZINC45666086

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 0.92 7.42 -175.83 5 4 3 40 285.5 7
Hi High (pH 8-9.5) 0.92 4.94 -98.98 4 4 2 39 284.492 7

Activity (Go SEA)

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