UCSF

ZINC19928371

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 29 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) 1.03 1.95 -17.51 3 12 0 150 397.399 6
Mid Mid (pH 6-8) 1.03 4.36 -46.77 4 12 1 151 398.407 6

Activity (Go SEA)

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