UCSF

ZINC53125164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 1.53 7.66 -11.07 0 4 0 34 262.332 4
Mid Mid (pH 6-8) 1.53 9.3 -41.6 1 4 1 35 263.34 4

Activity (Go SEA)

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