UCSF

ZINC19905316

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 21 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) 4.48 7.18 -7.23 1 4 0 40 293.407 5
Lo Low (pH 4.5-6) 4.48 6.72 -41.48 2 4 1 44 294.415 5

Activity (Go SEA)

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