UCSF

ZINC40178471

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 36 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) 3.44 7.15 -54.94 1 9 1 99 508.576 6
Mid Mid (pH 6-8) 3.44 4.95 -15.92 0 9 0 98 507.568 6

Activity (Go SEA)

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