UCSF

ZINC34667927

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 1.64 5.52 -43.01 3 8 1 86 414.53 7
Mid Mid (pH 6-8) 1.64 7.7 -112.37 4 8 2 87 415.538 7
Mid Mid (pH 6-8) 1.64 5.87 -80.51 4 8 2 88 415.538 7
Lo Low (pH 4.5-6) 1.64 8.05 -183.56 5 8 3 89 416.546 7

Activity (Go SEA)

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