UCSF

ZINC14914301

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 1.91 5.44 -8.18 1 4 0 42 290.407 3
Lo Low (pH 4.5-6) 1.91 7.72 -37.76 2 4 1 43 291.415 3

Activity (Go SEA)

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