UCSF

ZINC37821029

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) 1.96 4.77 -51.9 3 4 1 72 238.355 4
Mid Mid (pH 6-8) 1.96 4.5 -8.11 2 4 0 70 237.347 4

Activity (Go SEA)

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