UCSF

ZINC34958936

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 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) 0.15 -0.01 -45.16 0 6 -1 99 214.16 1
Lo Low (pH 4.5-6) -0.30 2.65 -11.91 1 6 0 96 215.168 1

Activity (Go SEA)

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