UCSF

ZINC71971343

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2012 22 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) 4.13 10.61 -41.43 1 3 1 25 323.888 4
Mid Mid (pH 6-8) 4.13 8.6 -5.97 0 3 0 24 322.88 4

Activity (Go SEA)

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