UCSF

ZINC44724113

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 20 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) 1.70 3.44 -19.86 2 5 0 67 295.408 6
Mid Mid (pH 6-8) 1.70 4.68 -54.88 3 5 1 72 296.416 6

Activity (Go SEA)

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