UCSF

ZINC35815621

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 38 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) 4.74 10.96 -12.1 1 6 0 64 529.706 14
Mid Mid (pH 6-8) 4.74 12.3 -56.71 2 6 1 65 530.714 14

Activity (Go SEA)

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