UCSF

ZINC34698944

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 36 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) 6.30 17.4 -36.68 1 4 1 28 484.708 9
Mid Mid (pH 6-8) 6.30 15.22 -9.08 0 4 0 27 483.7 9

Activity (Go SEA)

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