UCSF

ZINC20178928

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 15 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) -0.35 0.56 -40.66 4 3 1 51 227.353 3
Hi High (pH 8-9.5) -0.35 -0.58 -4.4 3 3 0 49 226.345 3
Mid Mid (pH 6-8) -0.35 1.62 -33.68 4 3 1 51 227.353 3

Activity (Go SEA)

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