UCSF

ZINC09295517

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 18 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) 2.00 -3.18 -10.47 2 4 0 59 261.35 1
Lo Low (pH 4.5-6) 2.00 -3.1 -40.27 3 4 1 60 262.358 1

Activity (Go SEA)

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