UCSF

ZINC08742983

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 33 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) 3.46 9.81 -60.77 0 8 -1 109 463.491 7
Mid Mid (pH 6-8) 2.87 0.48 -14.14 0 8 0 102 464.499 7
Lo Low (pH 4.5-6) 3.46 8.98 -19.39 1 8 0 106 464.499 7

Activity (Go SEA)

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