UCSF

ZINC36754375

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 Yes

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) 0.81 2.64 -40.46 3 5 1 69 239.343 3
Lo Low (pH 4.5-6) 0.81 2.96 -113.35 4 5 2 71 240.351 3

Activity (Go SEA)

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