UCSF

ZINC44679292

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 1.14 1.69 -57.61 4 5 1 83 331.845 7
Hi High (pH 8-9.5) 1.14 1.27 -10.44 3 5 0 81 330.837 7

Activity (Go SEA)

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