UCSF

ZINC18120968

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 22 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) 3.20 10.05 -36.94 1 4 1 52 287.346 4
Mid Mid (pH 6-8) 3.20 10.23 -71.39 2 4 2 53 288.354 4
Mid Mid (pH 6-8) 3.20 9.9 -10.46 0 4 0 51 286.338 4

Activity (Go SEA)

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