UCSF

ZINC01413403

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 35 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) 4.96 10.67 -18.35 1 7 0 89 506.967 6
Mid Mid (pH 6-8) 4.37 11.34 -24.39 0 7 0 86 506.967 6

Activity (Go SEA)

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