UCSF

ZINC70303443

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 17 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) 2.46 4.67 -39.78 3 3 1 36 297.22 5
Hi High (pH 8-9.5) 2.46 3.22 -5.16 2 3 0 31 296.212 5
Lo Low (pH 4.5-6) 2.46 6.99 -115 4 3 2 37 298.228 5

Activity (Go SEA)

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