UCSF

ZINC36326692

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 20 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) 0.86 1.78 -6.42 3 5 0 71 281.331 4
Lo Low (pH 4.5-6) 0.86 3.96 -38.97 4 5 1 72 282.339 4

Activity (Go SEA)

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