UCSF

ZINC25536931

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 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) 4.06 9.12 -14.32 1 3 0 42 355.235 3
Lo Low (pH 4.5-6) 4.06 9.46 -40.16 2 3 1 43 356.243 3

Activity (Go SEA)

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