UCSF

ZINC59587636

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 28 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) 4.52 11.58 -42.7 2 4 1 35 403.974 9
Lo Low (pH 4.5-6) 4.52 10.53 -50.74 2 4 1 38 403.974 9

Activity (Go SEA)

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