UCSF

ZINC23258120

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 26 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) 3.78 6.02 -38.03 3 5 1 57 356.49 7
Mid Mid (pH 6-8) 3.78 6.13 -37.44 3 5 1 57 356.49 7
Mid Mid (pH 6-8) 3.78 3.83 -10.24 2 5 0 56 355.482 7

Activity (Go SEA)

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