UCSF

ZINC34986928

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 Yes

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) 3.45 12.05 -14.48 1 6 0 75 472.633 11
Lo Low (pH 4.5-6) 3.45 11.65 -41.27 2 6 1 76 473.641 11

Activity (Go SEA)

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