UCSF

ZINC36705172

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 36 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) 5.98 12.24 -13.16 0 6 0 55 501.652 9
Lo Low (pH 4.5-6) 5.98 14.5 -57.02 1 6 1 56 502.66 9

Activity (Go SEA)

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