UCSF

ZINC22898659

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 24 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) 4.38 8.54 -11.9 1 4 0 42 373.324 7
Mid Mid (pH 6-8) 4.38 8.69 -49.6 2 4 1 43 374.332 7
Mid Mid (pH 6-8) 4.45 7.31 -29.22 2 4 1 46 374.332 7
Mid Mid (pH 6-8) 4.45 6.27 -33.53 2 4 1 47 374.332 7
Lo Low (pH 4.5-6) 4.45 7.08 -101.37 3 4 2 48 375.34 7

Activity (Go SEA)

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