UCSF

ZINC34829763

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 4.70 16.01 -52.14 1 5 1 45 506.667 5
Mid Mid (pH 6-8) 4.70 14.31 -17.09 0 5 0 44 505.659 5

Activity (Go SEA)

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