UCSF

ZINC37854771

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) 0.03 1.8 -105.17 4 5 2 54 275.437 10
Mid Mid (pH 6-8) 0.03 -0.23 -42.8 3 5 1 53 274.429 10

Activity (Go SEA)

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