UCSF

ZINC33121272

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 32 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) 1.61 3.77 -53.63 3 8 1 96 483.973 5
Hi High (pH 8-9.5) 1.61 2.43 -37.97 1 8 -1 93 481.957 5
Mid Mid (pH 6-8) 1.61 3.85 -63.16 2 8 0 98 482.965 5

Activity (Go SEA)

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