UCSF

ZINC43904320

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 2.84 7.08 -32.78 2 3 1 26 261.389 3
Mid Mid (pH 6-8) 2.84 6.06 -36.1 2 3 1 29 261.389 3
Mid Mid (pH 6-8) 2.84 7.65 -105.94 3 3 2 30 262.397 3

Activity (Go SEA)

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