UCSF

ZINC04115115

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 28 No

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) 2.82 4.16 -53.99 2 5 1 99 384.385 2
Mid Mid (pH 6-8) 2.82 3.99 -104.78 3 5 2 101 385.393 2

Activity (Go SEA)

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