UCSF

ZINC37996740

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 3.25 6.74 -37.15 2 3 1 29 265.421 8
Mid Mid (pH 6-8) 3.25 7.46 -29.81 2 3 1 26 265.421 8
Lo Low (pH 4.5-6) 3.25 8.68 -112.07 3 3 2 30 266.429 8

Activity (Go SEA)

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