UCSF

ZINC40525566

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 31 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) 0.52 5.73 -61.37 5 9 1 139 435.497 8
Hi High (pH 8-9.5) 0.52 6.44 -50.74 4 9 0 142 434.489 8
Mid Mid (pH 6-8) 0.52 4.6 -14.88 4 9 0 134 434.489 8

Activity (Go SEA)

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