UCSF

ZINC41045253

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 15 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) 1.65 5.36 -42.97 2 3 1 33 210.276 2
Lo Low (pH 4.5-6) 1.65 5.71 -88.48 3 3 2 34 211.284 2

Activity (Go SEA)

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