UCSF

ZINC13684354

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 26 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) 4.49 8.81 -17.1 3 5 0 61 394.834 6
Hi High (pH 8-9.5) 4.49 8.37 -32.15 2 5 -1 60 393.826 6
Hi High (pH 8-9.5) 4.31 8.95 -48.32 4 5 1 59 395.842 7
Hi High (pH 8-9.5) 4.31 8.53 -17.29 3 5 0 58 394.834 7
Mid Mid (pH 6-8) 4.49 8.97 -45.86 4 5 1 63 395.842 6

Activity (Go SEA)

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