UCSF

ZINC31240801

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2009 24 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) 1.55 4.89 -50.25 2 6 1 63 326.424 6
Mid Mid (pH 6-8) 1.55 2.52 -11.09 1 6 0 61 325.416 6

Activity (Go SEA)

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