UCSF

ZINC33724105

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 38 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) 5.07 14.3 -56.86 1 8 0 100 522.642 15
Lo Low (pH 4.5-6) 5.07 13.17 -52.86 2 8 1 98 523.65 15

Activity (Go SEA)

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