UCSF

ZINC10266944

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2007 28 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) 4.88 1.93 -15.69 1 4 0 65 387.508 6
Lo Low (pH 4.5-6) 4.88 2.04 -52.2 2 4 1 67 388.516 6

Activity (Go SEA)

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