UCSF

ZINC34729640

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 14 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) 0.96 3.92 -8.14 1 3 0 32 192.262 3
Lo Low (pH 4.5-6) 0.96 4.68 -22.96 2 3 0 34 193.27 3

Activity (Go SEA)

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