UCSF

ZINC43405498

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.11 4.01 -102.29 6 5 2 88 290.411 4
Hi High (pH 8-9.5) 1.11 3.59 -50.61 5 5 1 87 289.403 4
Hi High (pH 8-9.5) 1.11 3.6 -28.15 5 5 1 86 289.403 4

Activity (Go SEA)

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