UCSF

ZINC06797223

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 27 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) 3.90 10.12 -20.71 1 6 0 68 360.417 5
Lo Low (pH 4.5-6) 3.90 10.29 -52.2 2 6 1 70 361.425 5

Activity (Go SEA)

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