UCSF

ZINC34541220

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 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) 3.04 4.6 -4.23 3 3 0 47 194.278 5
Lo Low (pH 4.5-6) 3.04 4.4 -46.69 4 3 1 49 195.286 5

Activity (Go SEA)

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