UCSF

ZINC33121113

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 33 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) 3.62 8.05 -50.44 4 7 1 95 471.647 7
Hi High (pH 8-9.5) 3.62 6.64 -16.08 3 7 0 91 470.639 7
Hi High (pH 8-9.5) 3.62 8.12 -65.9 3 7 0 97 470.639 7

Activity (Go SEA)

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