UCSF

ZINC40482284

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 13 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) -2.18 1.28 -66.26 4 5 0 97 188.227 5
Hi High (pH 8-9.5) -2.18 0.94 -52.46 3 5 -1 95 187.219 5

Activity (Go SEA)

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