UCSF

ZINC34660351

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 17 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) 2.37 6.32 -53.4 2 5 1 72 247.221 6
Hi High (pH 8-9.5) 2.37 4.95 -8.93 1 5 0 67 246.213 6

Activity (Go SEA)

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