UCSF

ZINC04258466

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 29 Yes

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) 2.76 9.88 -15.19 1 6 0 71 383.455 5
Lo Low (pH 4.5-6) 2.76 10.69 -90.38 3 6 2 74 385.471 5
Lo Low (pH 4.5-6) 2.76 10.22 -36.07 2 6 1 72 384.463 5

Activity (Go SEA)

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