UCSF

ZINC42818321

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 No

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) -0.23 2.75 -50.98 2 5 1 63 227.284 3
Hi High (pH 8-9.5) -0.23 1.42 -11.42 1 5 0 59 226.276 3
Mid Mid (pH 6-8) -0.23 1.42 -7.23 1 5 0 59 226.276 3

Activity (Go SEA)

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