UCSF

ZINC36853136

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 No

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) 1.48 7.7 -108.64 3 5 2 58 297.443 6
Mid Mid (pH 6-8) 1.48 6.68 -40.06 2 5 1 54 296.435 6

Activity (Go SEA)

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