UCSF

ZINC37820650

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.60 2.68 -41.25 3 5 1 60 298.451 5
Hi High (pH 8-9.5) 1.60 2.83 -7.74 2 5 0 59 297.443 5
Mid Mid (pH 6-8) 1.60 4.68 -90.66 4 5 2 62 299.459 5

Activity (Go SEA)

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