UCSF

ZINC28474632

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 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) 2.90 8.8 -129.62 5 2 2 44 270.42 7
Mid Mid (pH 6-8) 2.90 8.49 -38.07 4 2 1 43 269.412 7

Activity (Go SEA)

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