UCSF

ZINC19359485

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 4.81 13.44 -37.59 1 2 1 8 343.494 5
Mid Mid (pH 6-8) 4.81 13.03 -33.05 1 2 1 8 343.494 5
Mid Mid (pH 6-8) 4.81 11.19 -3.31 0 2 0 6 342.486 5

Activity (Go SEA)

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