UCSF

ZINC33781008

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 39 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) 7.25 15.97 -59.55 0 6 -1 79 526.653 14
Lo Low (pH 4.5-6) 7.25 14.68 -20.87 1 6 0 76 527.661 14

Activity (Go SEA)

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