UCSF

ZINC03262581

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 18 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) -0.98 10.12 -97.37 1 2 2 8 246.398 1
Mid Mid (pH 6-8) -0.98 11.33 -25.52 0 2 1 7 245.39 1

Activity (Go SEA)

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