UCSF

ZINC09380578

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 35 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) 4.42 10.53 -43.83 0 7 -1 88 472.517 10
Mid Mid (pH 6-8) 4.87 9.01 -27.27 1 7 0 85 473.525 9
Mid Mid (pH 6-8) 3.84 0.12 -21.73 0 7 0 82 473.525 10

Activity (Go SEA)

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