UCSF

ZINC42324651

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 17 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) 0.40 4.64 -46.35 1 5 1 58 240.327 4
Mid Mid (pH 6-8) 0.40 2.6 -14.65 0 5 0 57 239.319 4

Activity (Go SEA)

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