UCSF

ZINC37039282

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 0.23 1.98 -53.47 3 6 1 71 319.495 6
Mid Mid (pH 6-8) 0.23 3.35 -122.57 4 6 2 73 320.503 6

Activity (Go SEA)

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