UCSF

ZINC19852191

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 13 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) 0.64 3.56 -9.18 0 3 0 40 175.235 4
Mid Mid (pH 6-8) 0.64 3.99 -41.55 1 3 1 41 176.243 4

Activity (Go SEA)

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