UCSF

ZINC34850495

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 31 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) 0.09 5.83 -51.26 3 9 1 95 428.561 9
Mid Mid (pH 6-8) 0.09 6.12 -88.84 4 9 2 96 429.569 9

Activity (Go SEA)

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