UCSF

ZINC35482872

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 26 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) 3.84 9.99 -11.9 1 5 0 58 356.445 6
Lo Low (pH 4.5-6) 3.84 10.36 -39.19 2 5 1 59 357.453 6

Activity (Go SEA)

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