UCSF

ZINC62967317

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 15 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) 1.25 2.66 -29.64 2 3 1 28 213.345 2
Mid Mid (pH 6-8) 1.25 5.03 -100.44 3 3 2 29 214.353 2
Mid Mid (pH 6-8) 1.25 2.6 -34.98 2 3 1 28 213.345 2

Activity (Go SEA)

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