UCSF

ZINC53130827

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 15 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) -2.12 2.96 -7.67 2 4 0 65 200.245 3
Mid Mid (pH 6-8) -2.12 3.29 -54.68 3 4 1 66 201.253 3

Activity (Go SEA)

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