UCSF

ZINC44124479

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 3.47 10.42 -29.42 1 3 1 31 262.373 5
Mid Mid (pH 6-8) 3.47 8.64 -5.11 0 3 0 30 261.365 5

Activity (Go SEA)

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