UCSF

ZINC34961233

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 1.32 1.11 -49.07 4 5 1 83 240.279 6
Hi High (pH 8-9.5) 1.32 -0.01 -8.96 3 5 0 79 239.271 6

Activity (Go SEA)

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