UCSF

ZINC44680659

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 0.89 1.85 -101.73 5 5 2 78 303.453 5
Hi High (pH 8-9.5) 0.89 1.28 -36.61 3 5 0 79 301.437 5
Hi High (pH 8-9.5) 0.89 1.46 -42 4 5 1 77 302.445 5

Activity (Go SEA)

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