UCSF

ZINC42592566

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 1.97 3.92 -40.29 4 3 1 57 215.361 5
Mid Mid (pH 6-8) 1.97 3.77 -4.31 3 3 0 55 214.353 5

Activity (Go SEA)

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