UCSF

ZINC36782404

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.92 3.92 -10.48 3 4 0 61 284.359 5
Hi High (pH 8-9.5) 2.92 4.67 -46.95 2 4 -1 64 283.351 5
Hi High (pH 8-9.5) 2.92 5.67 -40.59 3 4 0 69 284.359 5

Activity (Go SEA)

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