UCSF

ZINC19732664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 10 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) -1.07 -1.56 -41.85 4 3 1 49 145.226 4
Mid Mid (pH 6-8) -1.07 -0.14 -114.34 5 3 2 53 146.234 4
Mid Mid (pH 6-8) -1.07 -0.52 -35.71 4 3 1 52 145.226 4

Activity (Go SEA)

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