UCSF

ZINC12985479

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) 2.64 6.97 -10.02 2 3 0 41 284.384 2
Mid Mid (pH 6-8) 3.17 5.83 -35.25 3 3 1 46 285.392 3

Activity (Go SEA)

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