UCSF

ZINC34678415

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 30 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) 1.06 0.38 -48.87 3 9 1 102 419.502 10
Mid Mid (pH 6-8) 1.06 -1.88 -12.45 2 9 0 100 418.494 10

Activity (Go SEA)

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