UCSF

ZINC06785050

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 17 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) 1.41 5.01 -43.67 1 4 1 42 255.363 2
Mid Mid (pH 6-8) 1.41 2.88 -7.91 0 4 0 41 254.355 2

Activity (Go SEA)

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