UCSF

ZINC36788805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 3.10 6.46 -137.84 4 4 2 51 345.281 6
Mid Mid (pH 6-8) 3.10 4.06 -52.25 3 4 1 49 344.273 6
Mid Mid (pH 6-8) 3.10 5.98 -33.49 3 4 1 49 344.273 6

Activity (Go SEA)

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