UCSF

ZINC34823047

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 16 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) 0.17 3.74 -40.12 2 5 1 47 225.316 3
Hi High (pH 8-9.5) 0.17 2.23 -5.48 1 5 0 42 224.308 3

Activity (Go SEA)

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