UCSF

ZINC20588815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 13 No

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) 2.03 7.68 -13.46 1 3 0 34 199.323 4
Mid Mid (pH 6-8) 2.76 7.51 -46.81 0 3 -1 31 198.315 4

Activity (Go SEA)

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