UCSF

ZINC49348784

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 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) 0.53 4.27 -39.75 3 5 1 68 256.37 4
Hi High (pH 8-9.5) 0.53 2.64 -10.13 2 5 0 67 255.362 4

Activity (Go SEA)

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