UCSF

ZINC36155968

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 34 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) 1.76 4.61 -14.99 2 8 0 91 486.638 12
Mid Mid (pH 6-8) 1.76 6.76 -53.59 3 8 1 92 487.646 12

Activity (Go SEA)

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