UCSF

ZINC34687622

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 7.74 17.03 -28.08 2 5 1 57 474.6 8
Mid Mid (pH 6-8) 7.74 17.66 -21.56 1 5 0 56 473.592 8
Mid Mid (pH 6-8) 7.74 17.58 -40.09 2 5 1 60 474.6 8
Lo Low (pH 4.5-6) 7.74 17.47 -84.46 3 5 2 61 475.608 8

Activity (Go SEA)

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