UCSF

ZINC34462957

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 16 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) 2.40 7.72 -8.13 0 2 0 37 208.264 2
Lo Low (pH 4.5-6) 2.40 8.22 -40.86 1 2 1 38 209.272 2

Activity (Go SEA)

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