UCSF

ZINC39908022

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.89 16.09 -9.2 0 2 0 18 368.524 6
Mid Mid (pH 6-8) 6.89 16.19 -29.36 1 2 1 19 369.532 6

Activity (Go SEA)

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