UCSF

ZINC36851211

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) -0.43 2.8 -46.3 2 5 1 63 227.284 5
Hi High (pH 8-9.5) -0.43 1.72 -8.15 1 5 0 59 226.276 5
Mid Mid (pH 6-8) -0.43 1.79 -8.02 1 5 0 59 226.276 5

Activity (Go SEA)

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