UCSF

ZINC41802756

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) -1.84 1.84 -39.8 3 5 0 86 188.227 5
Hi High (pH 8-9.5) -1.84 0.64 -53.41 2 5 -1 81 187.219 5

Activity (Go SEA)

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