UCSF

ZINC24922124

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 24 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) 3.58 8.17 -20.65 2 4 0 58 322.408 3
Mid Mid (pH 6-8) 3.65 5.27 -12.74 2 4 0 62 322.408 3

Activity (Go SEA)

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