UCSF

ZINC42585317

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 2.19 -0.58 -9.75 4 5 0 92 272.37 5
Hi High (pH 8-9.5) 2.19 0.24 -42.64 3 5 -1 95 271.362 5

Activity (Go SEA)

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