UCSF

ZINC37986125

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) 2.15 4.27 -61.68 2 6 0 91 355.243 6
Hi High (pH 8-9.5) 2.15 2.18 -45.13 1 6 -1 90 354.235 6

Activity (Go SEA)

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