UCSF

ZINC44721917

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 0.40 4.39 -77.88 4 4 2 41 255.406 6
Hi High (pH 8-9.5) 0.40 2.11 -33.89 3 4 1 40 254.398 6
Mid Mid (pH 6-8) 0.40 3.29 -104.92 4 4 2 45 255.406 6

Activity (Go SEA)

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