UCSF

ZINC42562274

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 No

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) -1.92 -3.56 -16.12 3 6 0 87 199.21 3
Mid Mid (pH 6-8) -1.92 -2.49 -47.93 4 6 1 92 200.218 3
Mid Mid (pH 6-8) -1.92 -2.56 -52.25 4 6 1 92 200.218 3
Mid Mid (pH 6-8) -1.73 -5.03 -41.18 3 6 0 98 199.21 3
Lo Low (pH 4.5-6) -1.73 -5.09 -45.59 3 6 0 98 199.21 3

Activity (Go SEA)

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