UCSF

ZINC19912903

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 4.05 9.64 -105.51 3 2 2 21 254.462 5
Mid Mid (pH 6-8) 4.05 7.44 -39.54 2 2 1 20 253.454 5

Activity (Go SEA)

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