UCSF

ZINC29487285

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 25 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) -0.72 -0.42 -49.23 6 8 1 127 349.411 8
Hi High (pH 8-9.5) -0.72 -1.64 -22.7 5 8 0 123 348.403 8

Activity (Go SEA)

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