UCSF

ZINC21810393

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.90 6.75 -27.11 2 3 0 49 312.196 5
Hi High (pH 8-9.5) 3.90 5.26 -39.15 1 3 -1 44 311.188 5
Mid Mid (pH 6-8) 3.90 6.09 -38.7 3 3 1 46 313.204 5

Activity (Go SEA)

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