UCSF

ZINC37856283

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.82 -0.53 -39.69 1 5 -1 82 321.762 3
Mid Mid (pH 6-8) 2.36 1.52 -11.49 2 5 0 79 322.77 3
Mid Mid (pH 6-8) 2.82 -0.48 -89.12 0 5 -2 84 320.754 3
Mid Mid (pH 6-8) 2.82 -1.26 -34.99 1 5 -1 81 321.762 3

Activity (Go SEA)

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