UCSF

ZINC42914903

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 0.03 -0.61 -116.41 6 4 2 73 258.337 7
Mid Mid (pH 6-8) 0.03 -2.5 -50.56 5 4 1 71 257.329 7
Mid Mid (pH 6-8) 0.03 -0.07 -35.08 5 4 1 71 257.329 7

Activity (Go SEA)

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