UCSF

ZINC34953170

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) 4.21 13.14 -57.06 0 10 -1 145 506.516 7
Lo Low (pH 4.5-6) 4.21 12.25 -18.65 1 10 0 143 507.524 7

Activity (Go SEA)

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