UCSF

ZINC45666540

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 0.88 3.2 -40.87 4 6 1 100 311.431 7
Hi High (pH 8-9.5) 0.88 0.52 -12.39 3 6 0 99 310.423 7

Activity (Go SEA)

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