UCSF

ZINC36229495

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 1.66 3.21 -8.31 2 5 0 67 281.743 6
Hi High (pH 8-9.5) 2.12 0.65 -42.69 1 5 -1 70 280.735 6
Mid Mid (pH 6-8) 2.12 1.99 -43.68 2 5 0 75 281.743 6
Mid Mid (pH 6-8) 1.66 4.57 -50.69 3 5 1 72 282.751 6

Activity (Go SEA)

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