UCSF

ZINC34987035

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 3.71 11.25 -38.09 1 3 1 30 350.511 3
Lo Low (pH 4.5-6) 3.71 11.71 -76.81 2 3 2 31 351.519 3

Activity (Go SEA)

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