UCSF

ZINC37825577

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -0.71 5.03 -61.42 3 5 1 96 235.311 6
Hi High (pH 8-9.5) -0.71 4.76 -15.21 2 5 0 94 234.303 6

Activity (Go SEA)

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