UCSF

ZINC03900803

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 22 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) 3.26 12.26 -13.09 0 4 0 43 292.317 2
Mid Mid (pH 6-8) 3.26 13.09 -48.09 2 4 1 47 293.325 2
Lo Low (pH 4.5-6) 3.26 12.58 -37.52 1 4 1 45 293.325 2

Activity (Go SEA)

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