UCSF

ZINC37813401

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.98 3.74 -58.44 4 5 1 77 296.435 4
Mid Mid (pH 6-8) 1.98 3.48 -11.96 3 5 0 75 295.427 4

Activity (Go SEA)

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