UCSF

ZINC46171294

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2010 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) 2.16 8.79 -37.25 1 4 1 28 304.458 6
Mid Mid (pH 6-8) 2.16 6.51 -7.9 0 4 0 27 303.45 6

Activity (Go SEA)

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