UCSF

ZINC19907320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.75 7.03 -35.91 2 3 1 26 263.405 6
Mid Mid (pH 6-8) 2.75 5.95 -45.88 2 3 1 29 263.405 6
Lo Low (pH 4.5-6) 2.75 8.31 -111.23 3 3 2 30 264.413 6

Activity (Go SEA)

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