UCSF

ZINC35677002

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 16 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) 1.17 1.58 -138.54 6 4 2 74 224.304 4
Mid Mid (pH 6-8) 1.17 1.39 -47.99 5 4 1 72 223.296 4

Activity (Go SEA)

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