UCSF

ZINC43969193

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 3.22 5.88 -27.38 2 3 1 29 257.442 6
Hi High (pH 8-9.5) 3.22 4.56 -1.7 1 3 0 24 256.434 6
Hi High (pH 8-9.5) 3.22 7.02 -27.48 2 3 1 26 257.442 6

Activity (Go SEA)

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