UCSF

ZINC65552645

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 22 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) 3.89 3.47 -9.83 1 5 0 68 361.25 6
Hi High (pH 8-9.5) 3.89 3.57 -40.8 0 5 -1 70 360.242 6

Activity (Go SEA)

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