UCSF

ZINC04924832

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 23 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) 2.12 7.43 -9.2 1 5 0 68 314.385 3
Lo Low (pH 4.5-6) 2.12 7.83 -46.74 2 5 1 70 315.393 3

Activity (Go SEA)

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