UCSF

ZINC20485331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 19 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) 2.31 7.56 -40.68 3 2 1 31 261.433 7
Hi High (pH 8-9.5) 2.31 7.29 -2.12 2 2 0 29 260.425 7
Mid Mid (pH 6-8) 2.31 9.22 -34.79 3 2 1 30 261.433 7
Mid Mid (pH 6-8) 2.31 9.53 -130.95 4 2 2 32 262.441 7

Activity (Go SEA)

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