UCSF

ZINC00201110

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 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) 2.83 8.99 -11.05 1 5 0 56 337.423 7
Lo Low (pH 4.5-6) 2.83 10 -34.56 2 5 1 57 338.431 7

Activity (Go SEA)

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