UCSF

ZINC37157184

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 0.53 7.06 -80.9 3 4 2 36 224.352 4
Mid Mid (pH 6-8) 0.53 6.55 -36.22 2 4 1 34 223.344 4
Lo Low (pH 4.5-6) 0.53 8.18 -179.81 4 4 3 40 225.36 4
Lo Low (pH 4.5-6) 0.53 5.79 -100.87 3 4 2 39 224.352 4

Activity (Go SEA)

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