UCSF

ZINC43499867

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) -1.05 2.93 -95.42 3 5 2 45 244.383 6
Hi High (pH 8-9.5) -1.05 1.58 -36.86 2 5 1 40 243.375 6

Activity (Go SEA)

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