UCSF

ZINC08964847

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 32 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) 0.41 -0.36 -23.54 6 13 0 182 445.436 7
Lo Low (pH 4.5-6) 0.41 -4.49 -41.9 7 13 1 184 446.444 7
Lo Low (pH 4.5-6) 0.41 -0.1 -40.97 7 13 1 184 446.444 7

Activity (Go SEA)

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