UCSF

ZINC44828767

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 13 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) -0.89 1.52 -52.22 4 4 1 60 204.319 5
Hi High (pH 8-9.5) -0.70 -0.43 -44.45 3 4 0 66 203.311 5

Activity (Go SEA)

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