UCSF

ZINC39101101

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 15 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) 0.95 6.31 -41.07 1 4 1 33 207.301 2
Mid Mid (pH 6-8) 0.95 4.09 -8.26 0 4 0 32 206.293 2
Lo Low (pH 4.5-6) 0.95 6.42 -89.19 2 4 2 35 208.309 2

Activity (Go SEA)

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