UCSF

ZINC37825573

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) -1.12 6.35 -61.31 2 5 1 84 235.311 8
Hi High (pH 8-9.5) -1.12 4.98 -17.24 1 5 0 80 234.303 8

Activity (Go SEA)

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