UCSF

ZINC19842129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 24 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) 4.00 10.14 -39.8 1 3 1 17 325.476 6
Mid Mid (pH 6-8) 4.00 10.08 -38.03 1 3 1 17 325.476 6
Mid Mid (pH 6-8) 4.00 7.76 -4.41 0 3 0 16 324.468 6

Activity (Go SEA)

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