UCSF

ZINC34596248

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 10 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) -0.16 2.2 -4.48 2 3 0 52 141.17 4
Mid Mid (pH 6-8) -0.16 2.52 -39.15 3 3 1 54 142.178 4

Activity (Go SEA)

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