UCSF

ZINC51958328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 25 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) 2.48 5.73 -43.11 2 5 1 46 349.495 7
Hi High (pH 8-9.5) 2.48 3.43 -7.02 1 5 0 45 348.487 7
Mid Mid (pH 6-8) 2.48 7.79 -104.35 3 5 2 48 350.503 7

Activity (Go SEA)

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