UCSF

ZINC34934059

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 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) 5.86 14.26 -76.85 1 6 0 74 492.66 12
Lo Low (pH 4.5-6) 5.86 13.51 -48.59 2 6 1 71 493.668 12

Activity (Go SEA)

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