UCSF

ZINC43425069

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.51 4.23 -44.57 3 3 1 40 261.389 3
Hi High (pH 8-9.5) 0.51 3.81 -2.84 2 3 0 38 260.381 3
Lo Low (pH 4.5-6) 0.51 5.98 -128.93 4 3 2 41 262.397 3

Activity (Go SEA)

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