UCSF

ZINC19924665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 30 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) 3.05 6.52 -12.27 1 7 0 74 417.391 5
Mid Mid (pH 6-8) 3.05 6.82 -41.81 2 7 1 76 418.399 5

Activity (Go SEA)

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