UCSF

ZINC34596011

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) -0.32 1.34 -33.11 2 4 1 51 160.193 2
Mid Mid (pH 6-8) -0.32 -0.9 -6.66 1 4 0 50 159.185 2

Activity (Go SEA)

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