UCSF

ZINC42462984

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) -0.59 -2.58 -39.49 5 6 1 100 230.288 3
Hi High (pH 8-9.5) -0.59 -2.94 -10.32 4 6 0 99 229.28 3

Activity (Go SEA)

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