UCSF

ZINC42782452

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.91 2.34 -59.08 3 4 1 65 315.362 6
Hi High (pH 8-9.5) 1.91 1.94 -10.25 2 4 0 63 314.354 6

Activity (Go SEA)

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