UCSF

ZINC37271044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 14 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) 0.03 2.16 -110.88 5 4 2 64 201.314 5
Hi High (pH 8-9.5) 0.03 0.91 -39.2 4 4 1 60 200.306 5
Hi High (pH 8-9.5) 0.03 -0.11 -43.7 4 4 1 63 200.306 5

Activity (Go SEA)

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