UCSF

ZINC35717793

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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) 2.22 7.21 -92.81 4 2 2 32 248.395 5
Hi High (pH 8-9.5) 2.22 4.46 -3.88 2 2 0 29 246.379 5
Hi High (pH 8-9.5) 2.22 4.87 -44.25 3 2 1 31 247.387 5

Activity (Go SEA)

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