UCSF

ZINC37269907

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 No

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) 0.00 3.46 -53.35 4 6 1 80 283.327 5
Hi High (pH 8-9.5) 0.00 1.25 -19.58 3 6 0 79 282.319 5

Activity (Go SEA)

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