UCSF

ZINC48701885

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 17 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) 0.50 0.96 -38.16 4 4 1 63 254.379 3
Hi High (pH 8-9.5) 0.50 -0.28 -7.54 3 4 0 58 253.371 3
Hi High (pH 8-9.5) 0.50 1.72 -28.13 4 4 1 60 254.379 3

Activity (Go SEA)

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