UCSF

ZINC37085203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.85 5.52 -39.56 2 5 1 61 266.317 5
Hi High (pH 8-9.5) 1.85 4.29 -8.37 1 5 0 57 265.309 5

Activity (Go SEA)

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