UCSF

ZINC33759905

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 36 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) 4.73 13.96 -51.6 1 7 0 77 493.648 13
Hi High (pH 8-9.5) 4.73 11.72 -45.87 0 7 -1 76 492.64 13
Lo Low (pH 4.5-6) 4.73 12.83 -47.53 2 7 1 75 494.656 13

Activity (Go SEA)

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