UCSF

ZINC13127694

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 30 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) 2.05 9.07 -73.39 1 7 0 87 409.486 9
Hi High (pH 8-9.5) 2.05 6.53 -55.79 0 7 -1 86 408.478 9
Mid Mid (pH 6-8) 1.47 9.43 -59.11 1 7 1 81 410.494 9
Lo Low (pH 4.5-6) 1.47 9.71 -123.74 2 7 2 82 411.502 9

Activity (Go SEA)

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