UCSF

ZINC43799365

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 21 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) 1.17 7.27 -109.38 3 5 2 51 299.459 6
Hi High (pH 8-9.5) 1.17 5.91 -49.69 2 5 1 46 298.451 6

Activity (Go SEA)

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