UCSF

ZINC37825580

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) -3.01 0.48 -60.26 4 7 1 125 238.271 7
Hi High (pH 8-9.5) -3.01 0.08 -20.51 3 7 0 123 237.263 7

Activity (Go SEA)

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