UCSF

ZINC34572331

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) 2.00 1.6 -99.45 7 5 2 86 317.433 10
Hi High (pH 8-9.5) 2.00 2.36 -80.09 6 5 1 89 316.425 10
Lo Low (pH 4.5-6) 2.00 2.93 -228.32 8 5 3 90 318.441 10

Activity (Go SEA)

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