UCSF

ZINC22932609

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 4.63 11.68 -34.83 2 3 1 26 367.538 7
Mid Mid (pH 6-8) 4.63 9.96 -48.17 2 3 1 29 367.538 7
Mid Mid (pH 6-8) 4.63 9.3 -6 1 3 0 24 366.53 7
Lo Low (pH 4.5-6) 4.63 11.92 -125.21 3 3 2 30 368.546 7

Activity (Go SEA)

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