UCSF

ZINC48580413

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 19 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) 3.49 5.53 -13.31 1 5 0 60 318.13 1
Hi High (pH 8-9.5) 3.49 5.11 -38.72 0 5 -1 58 317.122 1
Lo Low (pH 4.5-6) 3.49 6.01 -33.78 2 5 1 61 319.138 1

Activity (Go SEA)

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