UCSF

ZINC40189498

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.30 13.98 -12.79 1 5 0 56 443.591 10
Mid Mid (pH 6-8) 6.30 14.55 -36.54 2 5 1 57 444.599 10

Activity (Go SEA)

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