UCSF

ZINC19933580

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 15 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) 1.29 4.75 -90.68 3 3 2 24 213.369 4
Hi High (pH 8-9.5) 1.29 2.37 -34.62 2 3 1 23 212.361 4
Mid Mid (pH 6-8) 1.29 4.89 -116.57 3 3 2 24 213.369 4

Activity (Go SEA)

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