UCSF

ZINC57943504

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 17 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) 2.95 7.47 -34.87 2 2 1 16 253.797 4
Mid Mid (pH 6-8) 2.95 6.43 -41.83 2 2 1 20 253.797 4

Activity (Go SEA)

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