UCSF

ZINC37110291

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) 0.66 3.62 -39.09 2 3 1 37 159.253 4
Hi High (pH 8-9.5) 0.66 2.18 -7.53 1 3 0 32 158.245 4

Activity (Go SEA)

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