UCSF

ZINC37088308

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) 2.61 8.7 -28.62 2 3 0 57 279.336 6
Hi High (pH 8-9.5) 2.61 7.17 -46.6 1 3 -1 52 278.328 6

Activity (Go SEA)

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