UCSF

ZINC40639915

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 27 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) 2.64 10.96 -103.89 2 6 0 82 373.428 4
Mid Mid (pH 6-8) -0.95 9.19 -84.11 3 6 1 85 374.436 3

Activity (Go SEA)

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