UCSF

ZINC41682152

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 0.23 4.51 -99.31 3 5 2 45 272.437 7
Hi High (pH 8-9.5) 0.23 3.16 -48.54 2 5 1 40 271.429 7

Activity (Go SEA)

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