UCSF

ZINC20754541

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 29 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) 2.22 11.64 -43.34 2 4 1 37 392.498 2
Mid Mid (pH 6-8) 2.22 9.25 -7.06 1 4 0 36 391.49 2

Activity (Go SEA)

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