UCSF

ZINC34937599

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) 2.35 6.04 -8.18 0 3 0 30 235.718 2
Lo Low (pH 4.5-6) 2.35 8.27 -49.07 1 3 1 31 236.726 2

Activity (Go SEA)

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