UCSF

ZINC04945227

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 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) 2.63 12.52 -15.43 0 8 0 75 373.457 5
Mid Mid (pH 6-8) 2.63 13.01 -31.72 1 8 1 77 374.465 5

Activity (Go SEA)

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