UCSF

ZINC19719883

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 22 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) 3.62 6.37 -7.65 0 3 0 25 318.417 2
Mid Mid (pH 6-8) 3.62 8.63 -43.53 1 3 1 27 319.425 2

Activity (Go SEA)

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