UCSF

ZINC09845858

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2007 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) 7.28 12.43 -11.11 1 4 0 54 432.52 5
Mid Mid (pH 6-8) 6.79 12.27 -46.05 0 4 -1 53 431.512 6

Activity (Go SEA)

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