UCSF

ZINC21929591

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 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) 2.58 7.89 -7.65 0 6 0 50 286.383 2
Mid Mid (pH 6-8) 2.58 8.05 -26.52 1 6 1 51 287.391 2

Activity (Go SEA)

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