UCSF

ZINC02245450

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2004 28 No

Download: MOL2 SDF SMILES Flexibase

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) 3.30 8.11 -52.81 0 6 -1 80 372.404 3
Ref Reference (pH 7) 3.30 8.25 -51.75 0 6 -1 80 372.404 3
Lo Low (pH 4.5-6) 2.84 10.66 -11.85 1 6 0 77 373.412 3

Activity (Go SEA)

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