UCSF

ZINC20373490

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 26 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) 3.80 9.41 -43.03 2 5 1 50 353.49 4
Mid Mid (pH 6-8) 3.80 6.94 -10.69 1 5 0 48 352.482 4

Activity (Go SEA)

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