UCSF

ZINC62966154

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) 2.48 9.27 -76.6 1 4 0 48 248.326 3
Mid Mid (pH 6-8) 2.48 6.88 -47.91 0 4 -1 47 247.318 3

Activity (Go SEA)

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