UCSF

ZINC25561403

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 23 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) 1.79 4.68 -40.22 2 6 1 63 323.413 8
Mid Mid (pH 6-8) 1.79 2.37 -9.85 1 6 0 62 322.405 8

Activity (Go SEA)

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