UCSF

ZINC34679374

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 19 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) 0.53 4.9 -42.09 3 3 1 40 261.389 1
Lo Low (pH 4.5-6) 0.53 6.48 -126.16 4 3 2 41 262.397 1

Activity (Go SEA)

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