UCSF

ZINC09007762

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 39 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) 4.55 12.01 -61.14 0 7 -1 82 525.625 10
Mid Mid (pH 6-8) 3.97 0.04 -49.49 1 7 1 77 527.641 10
Mid Mid (pH 6-8) 4.55 14.34 -74.87 1 7 0 83 526.633 10

Activity (Go SEA)

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