UCSF

ZINC08739259

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 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) 2.47 5.95 -57.55 0 7 -1 82 439.463 7
Mid Mid (pH 6-8) 1.89 0.04 -54.19 1 7 1 77 441.479 7
Mid Mid (pH 6-8) 2.47 8.28 -70.57 1 7 0 83 440.471 7

Activity (Go SEA)

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