UCSF

ZINC34989310

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 4.48 12.49 -16.82 0 8 0 87 512.982 5
Lo Low (pH 4.5-6) 4.48 12.95 -48.21 1 8 1 88 513.99 5

Activity (Go SEA)

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