UCSF

ZINC20039417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 1.60 4.15 -37.3 3 4 1 46 256.414 9
Mid Mid (pH 6-8) 1.60 3.49 -42.85 3 4 1 49 256.414 9
Mid Mid (pH 6-8) 1.60 5.55 -114.32 4 4 2 50 257.422 9

Activity (Go SEA)

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