UCSF

ZINC13201296

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 27 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) 1.85 7.3 -11.09 0 6 0 65 365.433 8
Lo Low (pH 4.5-6) 1.85 7.51 -40.58 1 6 1 66 366.441 8

Activity (Go SEA)

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