UCSF

ZINC61992950

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 16 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) 2.65 7.09 -32.13 2 2 1 16 284.221 6
Mid Mid (pH 6-8) 2.65 8.51 -107.95 3 2 2 21 285.229 6
Mid Mid (pH 6-8) 2.65 6.22 -35.78 2 2 1 20 284.221 6

Activity (Go SEA)

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