UCSF

ZINC44677394

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 1.31 5.33 -41.52 3 2 1 31 217.336 2
Mid Mid (pH 6-8) 1.31 6.51 -29.91 3 2 1 30 217.336 2
Lo Low (pH 4.5-6) 1.31 6.83 -101.1 4 2 2 32 218.344 2

Activity (Go SEA)

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