UCSF

ZINC19801732

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 30 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) 4.60 11.45 -43.96 1 4 1 26 449.999 4
Mid Mid (pH 6-8) 4.60 10.76 -44.17 1 4 1 26 449.999 4
Mid Mid (pH 6-8) 4.60 9.12 -5.05 0 4 0 25 448.991 4

Activity (Go SEA)

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