UCSF

ZINC37851816

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) 2.31 3.55 -39.83 3 4 1 49 275.457 13
Mid Mid (pH 6-8) 2.31 4.65 -35.16 3 4 1 46 275.457 13

Activity (Go SEA)

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