UCSF

ZINC36789009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.68 8.06 -116.96 4 2 2 32 276.468 5
Hi High (pH 8-9.5) 3.68 8.76 -31.28 3 2 1 30 275.46 5
Hi High (pH 8-9.5) 3.68 6.16 -38.28 3 2 1 31 275.46 5

Activity (Go SEA)

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