UCSF

ZINC08703814

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 17 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) 3.39 9.15 -53.53 0 3 -1 43 232.303 2
Mid Mid (pH 6-8) 3.39 8.81 -55.38 1 3 0 45 233.311 2

Activity (Go SEA)

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