UCSF

ZINC24870411

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 20 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) 1.43 4.1 -43.03 3 5 1 68 298.432 4
Mid Mid (pH 6-8) 1.43 2.19 -10.07 2 5 0 67 297.424 4

Activity (Go SEA)

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