UCSF

ZINC42779955

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 4.13 8.52 -35.01 1 2 1 14 341.191 6
Mid Mid (pH 6-8) 4.13 6.74 -4.15 0 2 0 12 340.183 6

Activity (Go SEA)

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