UCSF

ZINC34675449

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 18 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) 2.88 6.02 -37.09 2 3 1 33 251.394 5
Hi High (pH 8-9.5) 2.88 4.89 -1.96 1 3 0 28 250.386 5
Hi High (pH 8-9.5) 2.88 6.9 -34.78 2 3 1 30 251.394 5

Activity (Go SEA)

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