UCSF

ZINC23282407

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 22 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) 2.59 7.75 -38.56 1 4 1 26 307.458 7
Lo Low (pH 4.5-6) 2.59 10.06 -111.19 2 4 2 27 308.466 7
Lo Low (pH 4.5-6) 2.59 7.72 -44.35 1 4 1 26 307.458 7

Activity (Go SEA)

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