UCSF

ZINC47301830

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 25 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) 2.00 9.7 -42.06 1 4 1 28 338.475 5
Mid Mid (pH 6-8) 2.00 9.57 -46.24 1 4 1 28 338.475 5
Mid Mid (pH 6-8) 2.00 7.32 -10.2 0 4 0 27 337.467 5

Activity (Go SEA)

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