UCSF

ZINC36984190

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 2.70 6.38 -85.68 4 4 2 50 281.444 5
Hi High (pH 8-9.5) 2.70 5.22 -41.86 3 4 1 46 280.436 5

Activity (Go SEA)

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