UCSF

ZINC45693798

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 3.43 8 -34.2 2 2 1 20 249.422 7
Mid Mid (pH 6-8) 3.43 8.8 -33.17 2 2 1 16 249.422 7
Lo Low (pH 4.5-6) 3.43 10.09 -112.76 3 2 2 21 250.43 7

Activity (Go SEA)

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