UCSF

ZINC49032693

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 36 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) 7.65 19.56 -38.89 1 2 1 8 475.7 10
Mid Mid (pH 6-8) 7.65 19.3 -33.97 1 2 1 8 475.7 10
Mid Mid (pH 6-8) 7.65 17.31 -4.54 0 2 0 6 474.692 10

Activity (Go SEA)

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