UCSF

ZINC37005036

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.76 5.9 -92.52 5 4 2 61 271.449 7
Hi High (pH 8-9.5) 1.76 5.57 -39.99 4 4 1 60 270.441 7

Activity (Go SEA)

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