UCSF

ZINC20272118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 32 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) 1.72 12.91 -53.68 1 8 1 78 433.536 4
Mid Mid (pH 6-8) 1.72 10.65 -19.49 0 8 0 76 432.528 4

Activity (Go SEA)

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