UCSF

ZINC35775452

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 18 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) -0.08 -0.04 -4.51 2 5 0 57 256.346 1
Lo Low (pH 4.5-6) -0.08 2.2 -117.39 4 5 2 60 258.362 1
Lo Low (pH 4.5-6) -0.08 2.23 -30.34 3 5 1 58 257.354 1

Activity (Go SEA)

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