UCSF

ZINC37989827

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 1.21 4.61 -37.26 3 4 1 55 255.382 6
Hi High (pH 8-9.5) 1.21 3.36 -7.24 2 4 0 50 254.374 6

Activity (Go SEA)

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