UCSF

ZINC20573436

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 29 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) 3.21 7.93 -30.86 1 6 0 70 394.471 4
Hi High (pH 8-9.5) 3.21 5.57 -44.5 0 6 -1 69 393.463 4
Hi High (pH 8-9.5) 3.21 7.71 -55.3 1 6 0 70 394.471 4
Mid Mid (pH 6-8) 3.21 7.59 -49.62 2 6 1 67 395.479 4
Mid Mid (pH 6-8) 3.21 7.47 -50.02 2 6 1 67 395.479 4
Mid Mid (pH 6-8) 3.21 4.58 -9.08 1 6 0 66 394.471 4

Activity (Go SEA)

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