UCSF

ZINC39318907

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 14 Yes

Other Names:

MFCD14627432

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) 1.09 5.18 -119.09 4 2 2 32 198.285 5
Mid Mid (pH 6-8) 1.09 3.03 -44.21 3 2 1 31 197.277 5

Activity (Go SEA)

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