UCSF

ZINC23309265

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 29 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) 4.59 12.6 -9.49 0 3 0 24 388.486 4
Mid Mid (pH 6-8) 4.59 14.22 -48.69 1 3 1 25 389.494 4

Activity (Go SEA)

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