UCSF

ZINC41684717

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.05 2.83 -49.43 2 6 1 75 308.449 7
Hi High (pH 8-9.5) 1.50 -1.84 -42.4 0 6 -1 77 306.433 7
Mid Mid (pH 6-8) 1.50 0.61 -63.53 1 6 0 78 307.441 7

Activity (Go SEA)

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