UCSF

ZINC62845010

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 21 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) 1.91 4.4 -51.25 3 5 1 64 290.387 4
Lo Low (pH 4.5-6) 1.91 4.73 -99.38 4 5 2 65 291.395 4

Activity (Go SEA)

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