UCSF

ZINC42563420

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 19 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) 2.94 7.52 -109.89 4 2 2 32 272.383 6
Mid Mid (pH 6-8) 2.94 5.65 -38.18 3 2 1 31 271.375 6

Activity (Go SEA)

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