UCSF

ZINC42681351

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 15 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) 1.19 4.54 -79.46 3 3 2 24 215.385 6
Hi High (pH 8-9.5) 1.19 5.57 -96.27 3 3 2 21 215.385 6
Hi High (pH 8-9.5) 1.19 3.32 -33.57 2 3 1 20 214.377 6

Activity (Go SEA)

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