UCSF

ZINC34695798

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 32 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) 4.28 11.57 -13.55 1 7 0 102 444.516 6
Lo Low (pH 4.5-6) 4.28 13.85 -53.59 2 7 1 103 445.524 6

Activity (Go SEA)

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