UCSF

ZINC23119654

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 23 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) 2.99 8.11 -34.95 1 5 1 47 337.827 5
Mid Mid (pH 6-8) 2.99 8.02 -33.23 1 5 1 47 337.827 5
Mid Mid (pH 6-8) 2.99 5.73 -5.6 0 5 0 46 336.819 5

Activity (Go SEA)

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