UCSF

ZINC34571766

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 18 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 9.32 -6.84 0 2 0 26 240.35 7
Mid Mid (pH 6-8) 3.39 9.78 -34.97 1 2 1 27 241.358 7
Lo Low (pH 4.5-6) 3.39 10.24 -70.49 2 2 2 28 242.366 7

Activity (Go SEA)

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