UCSF

ZINC19637320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 20 Yes

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) 3.54 9.19 -34.44 1 2 1 8 273.444 3
Hi High (pH 8-9.5) 3.54 6.94 -1.7 0 2 0 6 272.436 3
Mid Mid (pH 6-8) 3.54 9.26 -34.71 1 2 1 8 273.444 3

Activity (Go SEA)

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