UCSF

ZINC19834777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 14 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) -1.39 -1.44 -52.7 4 5 1 63 201.294 6
Hi High (pH 8-9.5) -1.39 0.54 -41.27 4 5 1 63 201.294 6
Mid Mid (pH 6-8) -1.39 0.96 -112.58 5 5 2 64 202.302 6

Activity (Go SEA)

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