UCSF

ZINC37821678

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.99 6.23 -41.98 3 4 1 51 262.377 3
Mid Mid (pH 6-8) 0.99 4.31 -8.36 2 4 0 50 261.369 3

Activity (Go SEA)

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