UCSF

ZINC23424863

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 26 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) 4.64 12.12 -48.13 3 2 1 29 345.51 10
Mid Mid (pH 6-8) 4.64 10.7 -4.26 2 2 0 24 344.502 10

Activity (Go SEA)

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