UCSF

ZINC20974274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 25 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) 4.17 9.64 -46.89 2 4 1 37 379.311 4
Mid Mid (pH 6-8) 4.17 7.17 -8.91 1 4 0 36 378.303 4

Activity (Go SEA)

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