UCSF

ZINC22910988

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 14 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) 0.67 2.23 -34.64 2 3 1 29 199.318 2
Mid Mid (pH 6-8) 0.67 2.98 -27.16 2 3 1 26 199.318 2
Lo Low (pH 4.5-6) 0.67 4.33 -102.44 3 3 2 30 200.326 2

Activity (Go SEA)

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