UCSF

ZINC22932645

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) 1.83 6.31 -44.74 2 4 1 41 326.464 7
Hi High (pH 8-9.5) 1.83 4.06 -6.97 1 4 0 40 325.456 7
Mid Mid (pH 6-8) 1.83 6.21 -42.09 2 4 1 41 326.464 7
Lo Low (pH 4.5-6) 1.83 6.68 -90.62 3 4 2 42 327.472 7

Activity (Go SEA)

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