UCSF

ZINC19788301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 3.99 9.73 -36.89 1 4 1 26 355.502 7
Mid Mid (pH 6-8) 3.99 9.65 -36.95 1 4 1 26 355.502 7
Mid Mid (pH 6-8) 3.99 7.34 -5.72 0 4 0 25 354.494 7

Activity (Go SEA)

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