UCSF

ZINC33760322

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 33 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) 2.82 8.36 -61.53 0 8 -1 97 454.499 11
Lo Low (pH 4.5-6) 2.82 7.06 -22.67 1 8 0 95 455.507 11

Activity (Go SEA)

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