UCSF

ZINC06458860

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 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) 2.31 7.95 -41.2 0 7 -1 88 426.42 7
Mid Mid (pH 6-8) 2.75 0.99 -26.64 1 7 0 85 427.428 6
Mid Mid (pH 6-8) 1.72 1.47 -18.07 0 7 0 82 427.428 7

Activity (Go SEA)

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