UCSF

ZINC19894627

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 0.46 4.66 -41.44 3 4 1 48 205.285 2
Mid Mid (pH 6-8) 0.46 2.2 -9.4 2 4 0 47 204.277 2
Mid Mid (pH 6-8) 0.46 2.4 -24.49 3 4 1 48 205.285 2
Lo Low (pH 4.5-6) 0.46 5.01 -97.85 4 4 2 50 206.293 2

Activity (Go SEA)

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