UCSF

ZINC09157201

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 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) 3.38 7.09 -25.53 3 7 0 104 467.522 8
Hi High (pH 8-9.5) 3.38 -4.89 -63.02 2 7 -1 106 466.514 8

Activity (Go SEA)

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