UCSF

ZINC33113950

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2009 33 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) 3.41 9.03 -48.42 3 7 1 73 475.057 7
Hi High (pH 8-9.5) 3.41 6.72 -17.42 2 7 0 72 474.049 7
Mid Mid (pH 6-8) 3.41 9.04 -52.59 3 7 1 73 475.057 7

Activity (Go SEA)

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