UCSF

ZINC23411539

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 25 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) 3.22 7.38 -17.73 1 5 0 50 340.471 4
Mid Mid (pH 6-8) 3.22 9.69 -59.2 2 5 1 51 341.479 4
Mid Mid (pH 6-8) 3.22 7.79 -34.67 2 5 1 51 341.479 4
Lo Low (pH 4.5-6) 3.22 10.1 -117.04 3 5 2 53 342.487 4

Activity (Go SEA)

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