UCSF

ZINC34933814

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 4.31 12.41 -79.84 1 6 0 74 454.542 11
Lo Low (pH 4.5-6) 4.31 11.66 -56.57 2 6 1 71 455.55 11

Activity (Go SEA)

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