UCSF

ZINC00542266

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 2.99 8.93 -11.69 1 3 0 42 270.376 2
Lo Low (pH 4.5-6) 2.99 8.71 -26.21 2 3 1 43 271.384 2

Activity (Go SEA)

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