UCSF

ZINC12442709

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 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) -1.11 -6.69 -10.43 4 8 0 116 239.235 3
Mid Mid (pH 6-8) -1.11 -6.42 -40.45 5 8 1 117 240.243 3

Activity (Go SEA)

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