UCSF

ZINC37821553

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -1.12 2.92 -51.51 5 5 1 91 290.387 4
Hi High (pH 8-9.5) -1.12 2.6 -12.09 4 5 0 89 289.379 4

Activity (Go SEA)

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