UCSF

ZINC36851106

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) -0.36 2.95 -45.52 2 5 1 63 227.284 4
Hi High (pH 8-9.5) -0.36 1.69 -8.23 1 5 0 59 226.276 4
Mid Mid (pH 6-8) -0.36 1.68 -8.53 1 5 0 59 226.276 4

Activity (Go SEA)

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