UCSF

ZINC19912991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 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) 2.77 8.7 -36.38 2 3 1 40 272.416 6
Mid Mid (pH 6-8) 2.77 7.73 -52.44 2 3 1 44 272.416 6

Activity (Go SEA)

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