UCSF

ZINC36985296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 4.52 10.74 -7.5 0 3 0 35 329.197 2
Lo Low (pH 4.5-6) 4.52 11.21 -35.51 1 3 1 36 330.205 2

Activity (Go SEA)

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