UCSF

ZINC36876323

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 0.62 4.22 -56.83 4 6 1 102 233.251 4
Lo Low (pH 4.5-6) 0.62 4.68 -122.65 5 6 2 103 234.259 4

Activity (Go SEA)

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