UCSF

ZINC34450300

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 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) -0.01 2.85 -135.64 6 2 2 55 194.322 3
Mid Mid (pH 6-8) -0.01 3.75 -37.59 5 2 1 54 193.314 3

Activity (Go SEA)

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