UCSF

ZINC34357675

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 34 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) 5.71 12.58 -36.34 4 7 1 89 474.507 8
Hi High (pH 8-9.5) 5.71 12.23 -19.65 3 7 0 88 473.499 8

Activity (Go SEA)

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