UCSF

ZINC19471076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 16 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) 2.37 5.98 -49.6 1 4 -1 65 241.336 8
Mid Mid (pH 6-8) 2.37 6.39 -61.88 2 4 0 66 242.344 8
Lo Low (pH 4.5-6) 2.37 5.27 -33.63 3 4 1 63 243.352 8

Activity (Go SEA)

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