UCSF

ZINC37005404

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.06 0.45 -45.44 6 5 1 100 256.37 5
Hi High (pH 8-9.5) -0.06 0.16 -11.74 5 5 0 98 255.362 5

Activity (Go SEA)

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