UCSF

ZINC06294805

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 31 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) 3.12 8.24 -45.58 1 6 -1 90 414.437 6
Mid Mid (pH 6-8) 2.53 -1.14 -26.08 1 6 0 83 415.445 6
Lo Low (pH 4.5-6) 3.12 7.11 -21.6 2 6 0 87 415.445 6

Activity (Go SEA)

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