UCSF

ZINC44902088

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 24 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) 1.70 7.93 -12.95 1 6 0 69 320.352 3
Lo Low (pH 4.5-6) 1.70 8.39 -47.42 2 6 1 70 321.36 3

Activity (Go SEA)

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