UCSF

ZINC37091748

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.93 5.45 -8.59 1 4 0 43 258.321 6
Lo Low (pH 4.5-6) 1.93 5.91 -41.15 2 4 1 45 259.329 6

Activity (Go SEA)

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