UCSF

ZINC00086163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 17 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) 1.88 5.39 -44.67 2 3 1 42 232.303 2
Hi High (pH 8-9.5) 1.88 3.02 -6.11 1 3 0 41 231.295 2

Activity (Go SEA)

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