UCSF

ZINC14885493

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 0.62 8.76 -33.96 1 7 1 65 358.466 5
Mid Mid (pH 6-8) 0.62 7.87 -83.17 2 7 2 66 359.474 5
Mid Mid (pH 6-8) 0.62 8.4 -10.24 0 7 0 63 357.458 5

Activity (Go SEA)

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