UCSF

ZINC22926497

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 20 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) 1.08 6.52 -101.1 3 4 2 37 276.428 4
Mid Mid (pH 6-8) 1.08 6.13 -125.67 3 4 2 37 276.428 4
Mid Mid (pH 6-8) 1.08 4.2 -39.11 2 4 1 36 275.42 4

Activity (Go SEA)

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