UCSF

ZINC12540508

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 20 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) 2.24 4.55 -14.4 3 5 0 81 306.416 4
Lo Low (pH 4.5-6) 2.24 4.89 -27.68 4 5 1 82 307.424 4
Lo Low (pH 4.5-6) 2.24 1.57 -33.96 4 5 1 82 307.424 4

Activity (Go SEA)

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