UCSF

ZINC21670017

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 31 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) 4.38 12.55 -13.58 1 6 0 63 441.576 9
Mid Mid (pH 6-8) 4.38 12.65 -32.38 2 6 0 64 442.584 9

Activity (Go SEA)

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