UCSF

ZINC02498973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 16 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) 1.96 8.44 -48.3 2 3 1 34 222.356 5
Mid Mid (pH 6-8) 1.96 8.96 -95.51 3 3 2 36 223.364 5

Activity (Go SEA)

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