UCSF

ZINC35517523

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 30 No

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) 5.83 10.95 -21.22 1 7 0 104 419.462 4
Mid Mid (pH 6-8) 6.09 11.52 -59.6 0 7 -1 103 418.454 5
Mid Mid (pH 6-8) 6.28 8.98 -69.61 0 7 -1 107 418.454 4
Lo Low (pH 4.5-6) 6.09 11.17 -60.87 0 7 -1 103 418.454 5

Activity (Go SEA)

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