UCSF

ZINC35002295

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 30 No

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) 2.55 7.24 -57.3 0 7 -1 88 428.848 6
Lo Low (pH 4.5-6) 2.55 6.49 -13.56 1 7 0 85 429.856 6

Activity (Go SEA)

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