UCSF

ZINC43475088

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 2.13 2.89 -46.64 4 4 1 66 288.367 6
Hi High (pH 8-9.5) 2.13 2.61 -7.95 3 4 0 65 287.359 6

Activity (Go SEA)

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