UCSF

ZINC19506616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 20 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) 1.29 5.88 -182.98 5 4 3 40 285.5 6
Hi High (pH 8-9.5) 1.29 3.57 -33.16 3 4 1 37 283.484 6
Mid Mid (pH 6-8) 1.29 3.93 -107.46 4 4 2 39 284.492 6

Activity (Go SEA)

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