UCSF

ZINC34666050

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 3.66 8.42 -48.7 2 3 1 50 271.315 4
Hi High (pH 8-9.5) 3.66 7.24 -7.17 1 3 0 45 270.307 4

Activity (Go SEA)

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