UCSF

ZINC37818842

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 3.12 7.61 -7.91 1 3 0 32 286.419 3
Lo Low (pH 4.5-6) 3.12 8.81 -38.57 2 3 1 37 287.427 3

Activity (Go SEA)

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