UCSF

ZINC34604183

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 10 No

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) -0.11 -0.41 -8.87 1 3 0 47 140.186 2
Mid Mid (pH 6-8) -0.11 1.84 -41.2 2 3 1 48 141.194 2

Activity (Go SEA)

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