UCSF

ZINC37043814

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 1.88 3.92 -47.4 1 5 -1 86 354.145 4
Hi High (pH 8-9.5) 1.88 3.99 -106.38 0 5 -2 88 353.137 4

Activity (Go SEA)

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