UCSF

ZINC39380948

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 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) 1.59 7.53 -42.4 2 6 1 63 349.499 6
Hi High (pH 8-9.5) 1.59 5.5 -10.34 1 6 0 62 348.491 6

Activity (Go SEA)

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