UCSF

ZINC37839251

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 No

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) 1.14 8.31 -17.09 0 3 0 37 237.324 5
Hi High (pH 8-9.5) 1.89 7.17 -54.43 0 3 -1 43 236.316 4

Activity (Go SEA)

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