UCSF

ZINC04899126

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 14 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) 1.39 6.26 -41.32 1 5 0 73 196.206 3
Mid Mid (pH 6-8) 1.39 5.28 -46.78 2 5 1 70 197.214 3

Activity (Go SEA)

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