UCSF

ZINC37847759

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.40 4.87 -98.78 4 4 2 51 262.438 10
Hi High (pH 8-9.5) 1.40 3.74 -35.03 3 4 1 46 261.43 10

Activity (Go SEA)

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