UCSF

ZINC37823582

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.35 3.99 -39.44 2 4 1 40 272.438 4
Mid Mid (pH 6-8) 1.35 4.91 -46.2 2 4 1 37 272.438 4
Mid Mid (pH 6-8) 1.35 6.21 -101.67 3 4 2 41 273.446 4
Mid Mid (pH 6-8) 1.35 2.69 -5.97 1 4 0 36 271.43 4

Activity (Go SEA)

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