UCSF

ZINC19603031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 31 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) 2.22 8.05 -60.98 3 7 1 87 419.505 4
Hi High (pH 8-9.5) 2.22 5.81 -23.94 2 7 0 86 418.497 4
Hi High (pH 8-9.5) 3.13 7.03 -74.98 2 7 0 90 418.497 4
Hi High (pH 8-9.5) 3.13 4.65 -54.74 1 7 -1 89 417.489 4

Activity (Go SEA)

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