UCSF

ZINC34957938

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 Yes

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) 1.67 5.3 -42.75 3 4 1 57 314.203 4
Hi High (pH 8-9.5) 1.67 4.88 -11.9 2 4 0 56 313.195 4

Activity (Go SEA)

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