UCSF

ZINC36356933

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 27 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) 0.48 1.46 -63.51 2 8 -1 132 384.393 4
Lo Low (pH 4.5-6) 0.48 1.01 -21.11 3 8 0 129 385.401 4

Activity (Go SEA)

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