UCSF

ZINC33845297

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 10 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) -0.69 -3.62 -53.27 3 5 -1 95 140.122 1
Mid Mid (pH 6-8) -0.69 -4.4 -11.06 4 5 0 92 141.13 1

Activity (Go SEA)

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