UCSF

ZINC44510779

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 19 No

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) 1.74 5.31 -35.13 4 4 1 61 280.417 5
Mid Mid (pH 6-8) 1.74 4.98 -12.35 3 4 0 60 279.409 5

Activity (Go SEA)

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