UCSF

ZINC09993320

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2007 32 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) 4.67 11.82 -60.45 0 6 -1 83 441.488 5
Mid Mid (pH 6-8) 4.08 -0.99 -20.62 0 6 0 76 442.496 5

Activity (Go SEA)

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