UCSF

ZINC21640192

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 3.64 8.94 -8.42 0 5 0 41 352.482 4
Mid Mid (pH 6-8) 3.64 9.23 -34.9 1 5 1 43 353.49 4
Lo Low (pH 4.5-6) 3.64 11.27 -49.68 1 5 1 43 353.49 4

Activity (Go SEA)

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