UCSF

ZINC54172606

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 19 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) 1.99 2.49 -6.94 1 4 0 42 265.353 5
Mid Mid (pH 6-8) 1.99 4.8 -40.98 2 4 1 43 266.361 5

Activity (Go SEA)

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