UCSF

ZINC19803608

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 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) 3.08 6.33 -121.94 4 2 2 32 216.413 9
Mid Mid (pH 6-8) 3.08 4.55 -41.69 3 2 1 31 215.405 9
Mid Mid (pH 6-8) 3.08 6.66 -27.05 3 2 1 30 215.405 9

Activity (Go SEA)

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