UCSF

ZINC49332410

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 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) 0.60 4.75 -105.25 3 4 2 34 257.422 8
Hi High (pH 8-9.5) 0.60 3.42 -33.81 2 4 1 29 256.414 8
Mid Mid (pH 6-8) 0.60 2.28 -41.63 2 4 1 32 256.414 8
Lo Low (pH 4.5-6) 0.60 7.02 -183.66 4 4 3 35 258.43 8

Activity (Go SEA)

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