UCSF

ZINC37237443

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 1.49 4.33 -44.85 2 5 1 61 308.427 10
Hi High (pH 8-9.5) 1.49 2.96 -12.47 1 5 0 56 307.419 10

Activity (Go SEA)

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