UCSF

ZINC28979247

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 19 No

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) 0.40 1.65 -17.89 3 7 0 102 261.285 2
Lo Low (pH 4.5-6) 0.40 2.11 -44.04 4 7 1 104 262.293 2

Activity (Go SEA)

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