UCSF

ZINC35281719

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 30 No

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) 3.36 10.12 -71.72 1 6 0 74 408.498 8
Lo Low (pH 4.5-6) 3.36 9.36 -49.07 2 6 1 71 409.506 8

Activity (Go SEA)

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