UCSF

ZINC13731269

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 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) 2.45 9.76 -78.32 1 7 0 83 410.47 8
Hi High (pH 8-9.5) 2.45 7.22 -63.78 0 7 -1 82 409.462 8
Mid Mid (pH 6-8) 2.90 8.38 -59.91 2 7 1 81 411.478 7
Mid Mid (pH 6-8) 1.87 9.59 -64.01 1 7 1 77 411.478 8

Activity (Go SEA)

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