UCSF

ZINC34934720

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 4.50 10.59 -66.92 0 7 -1 88 472.517 10
Lo Low (pH 4.5-6) 4.50 9.82 -18.26 1 7 0 85 473.525 10

Activity (Go SEA)

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