UCSF

ZINC02522797

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 20 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) 3.80 8.41 -9.74 0 3 0 39 267.328 5
Ref Reference (pH 7) 3.80 7.62 -10.54 0 3 0 39 267.328 5
Lo Low (pH 4.5-6) 3.80 8.84 -43.87 1 3 1 40 268.336 5
Lo Low (pH 4.5-6) 3.80 8.05 -43.5 1 3 1 40 268.336 5

Activity (Go SEA)

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