UCSF

ZINC00502635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 18 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) 0.18 5.16 -49.27 3 7 1 83 249.298 3
Lo Low (pH 4.5-6) 0.18 5.42 -104.82 4 7 2 85 250.306 3
Lo Low (pH 4.5-6) 0.18 1.05 -96.31 4 7 2 85 250.306 3

Activity (Go SEA)

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