UCSF

ZINC01254957

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 19 No

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) 3.49 8.42 -34.16 1 3 1 36 358.306 1
Mid Mid (pH 6-8) 3.49 7.35 -22.87 0 3 0 35 357.298 1

Activity (Go SEA)

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