UCSF

ZINC37820640

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.46 4.06 -40.71 2 5 1 49 282.408 5
Hi High (pH 8-9.5) 0.46 2.76 -9.27 1 5 0 45 281.4 5
Mid Mid (pH 6-8) 0.46 6.06 -89.83 3 5 2 51 283.416 5

Activity (Go SEA)

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