UCSF

ZINC01241715

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 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 11.76 -13.79 0 4 0 43 292.317 2
Mid Mid (pH 6-8) 3.26 13.11 -48.13 2 4 1 47 293.325 2
Mid Mid (pH 6-8) 3.26 12.09 -36.62 1 4 1 45 293.325 2

Activity (Go SEA)

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