UCSF

ZINC21520344

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 20 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) 4.95 10.24 -50.35 2 1 1 17 296.768 4
Mid Mid (pH 6-8) 4.95 9.07 -4.46 1 1 0 12 295.76 4

Activity (Go SEA)

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