UCSF

ZINC53131371

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.23 7.34 -48.23 2 3 1 42 264.352 4
Mid Mid (pH 6-8) 2.23 6.26 -8.61 1 3 0 38 263.344 4

Activity (Go SEA)

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