UCSF

ZINC44894980

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 24 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) 2.38 7.07 -14.11 1 6 0 64 327.384 5
Mid Mid (pH 6-8) 2.38 7.41 -40.41 2 6 1 65 328.392 5

Activity (Go SEA)

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