UCSF

ZINC00419080

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 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) 2.19 4.65 -7.88 1 3 0 41 256.33 1
Lo Low (pH 4.5-6) 2.19 5.51 -28.76 2 3 1 43 257.338 1

Activity (Go SEA)

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