UCSF

ZINC44241270

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) 0.25 -0.67 -16.15 3 7 0 102 279.362 5
Hi High (pH 8-9.5) 0.25 -1.05 -44.79 2 7 -1 104 278.354 5

Activity (Go SEA)

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