UCSF

ZINC42580614

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 4.05 8.19 -31.08 2 2 1 16 253.454 5
Mid Mid (pH 6-8) 4.05 7.58 -35.66 2 2 1 20 253.454 5
Mid Mid (pH 6-8) 4.05 9.37 -103.96 3 2 2 21 254.462 5

Activity (Go SEA)

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