UCSF

ZINC62435607

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 22 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) 1.84 3.12 -6.97 2 6 0 65 312.458 6
Mid Mid (pH 6-8) 1.84 5.49 -44.39 3 6 1 66 313.466 6

Activity (Go SEA)

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