UCSF

ZINC37038571

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -1.05 2.27 -51.1 3 6 1 69 280.396 4
Mid Mid (pH 6-8) -1.05 4.02 -115.86 4 6 2 70 281.404 4

Activity (Go SEA)

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