UCSF

ZINC43408447

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 1.91 4.69 -13.03 3 4 0 62 291.42 3
Mid Mid (pH 6-8) 1.91 5.12 -35.19 4 4 1 64 292.428 3

Activity (Go SEA)

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