UCSF

ZINC06301934

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 15 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) 0.04 7.84 -29.54 1 3 0 45 225.313 3
Hi High (pH 8-9.5) 0.04 5.59 -47.78 0 3 -1 43 224.305 3

Activity (Go SEA)

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