UCSF

ZINC42945827

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 2.06 3.75 -113.2 5 3 2 52 272.82 7
Mid Mid (pH 6-8) 2.06 1.56 -45.55 4 3 1 51 271.812 7
Mid Mid (pH 6-8) 2.06 3.45 -31.29 4 3 1 51 271.812 7

Activity (Go SEA)

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