UCSF

ZINC19536593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 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) 1.46 5.3 -40.09 1 5 1 35 281.376 5
Mid Mid (pH 6-8) 1.46 5.23 -36.71 1 5 1 35 281.376 5
Mid Mid (pH 6-8) 1.46 2.83 -7.36 0 5 0 34 280.368 5

Activity (Go SEA)

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