UCSF

ZINC19919860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 3.30 4.15 -46.74 4 3 1 57 258.341 5
Mid Mid (pH 6-8) 3.30 3 -10.87 3 3 0 52 257.333 5

Activity (Go SEA)

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