UCSF

ZINC44383065

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 13 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) 0.04 0.7 -31.41 2 4 1 43 192.279 8
Hi High (pH 8-9.5) 0.04 -1.1 -3.24 1 4 0 42 191.271 8

Activity (Go SEA)

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