UCSF

ZINC55359657

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 27 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) 1.97 6.93 -14.76 1 9 0 96 366.429 5
Mid Mid (pH 6-8) 1.97 7.37 -44.85 2 9 1 97 367.437 5

Activity (Go SEA)

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