UCSF

ZINC03652507

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 23 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) 0.67 1.06 -56.94 2 7 -1 103 347.401 4
Lo Low (pH 4.5-6) 0.22 3.1 -16.46 3 7 0 99 348.409 4

Activity (Go SEA)

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