UCSF

ZINC12463138

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 22 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) 3.24 9.07 -45.11 2 4 1 44 296.394 6
Mid Mid (pH 6-8) 3.24 9.49 -112.41 3 4 2 45 297.402 6

Activity (Go SEA)

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