UCSF

ZINC36782431

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 2.06 2.46 -47.52 4 4 1 66 255.725 5
Hi High (pH 8-9.5) 2.06 1.79 -43.98 2 4 -1 64 253.709 5
Hi High (pH 8-9.5) 2.06 1.08 -9 3 4 0 61 254.717 5
Hi High (pH 8-9.5) 2.06 3.16 -36.97 3 4 0 69 254.717 5

Activity (Go SEA)

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