UCSF

ZINC24053938

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2009 22 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) 1.95 5.35 -12.61 2 5 0 68 297.358 4
Lo Low (pH 4.5-6) 1.95 5.71 -43.88 3 5 1 70 298.366 4

Activity (Go SEA)

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