UCSF

ZINC44264640

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 2.41 3.17 -16.42 2 5 0 71 241.25 2
Mid Mid (pH 6-8) 2.41 3.92 -44.84 1 5 -1 74 240.242 2

Activity (Go SEA)

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