UCSF

ZINC19045567

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 14 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) 2.50 4.57 -6.16 3 3 0 55 207.664 1
Lo Low (pH 4.5-6) 2.50 4.65 -31.52 4 3 1 56 208.672 1

Activity (Go SEA)

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