UCSF

ZINC33698328

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 2.94 9.57 -40.2 0 8 -1 101 487.532 8
Lo Low (pH 4.5-6) 2.94 8.45 -19.3 1 8 0 98 488.54 8
Lo Low (pH 4.5-6) 2.94 8.88 -50.29 2 8 1 99 489.548 8

Activity (Go SEA)

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