UCSF

ZINC06454265

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 25 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) 2.97 7.49 -41.89 1 5 -1 71 345.407 3
Mid Mid (pH 6-8) 2.97 7.45 -18.28 2 5 0 74 346.415 3

Activity (Go SEA)

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