UCSF

ZINC69379169

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2011 18 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) 1.68 7.85 -30.54 1 3 1 25 247.362 3
Hi High (pH 8-9.5) 1.68 5.68 -7.95 0 3 0 24 246.354 3

Activity (Go SEA)

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