UCSF

ZINC62966164

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 2.98 9.87 -57.4 1 4 0 48 262.353 5
Mid Mid (pH 6-8) 2.98 7.84 -53.77 0 4 -1 47 261.345 5

Activity (Go SEA)

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