UCSF

ZINC06296663

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 32 Yes

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) 1.23 4.51 -21.73 2 9 0 118 459.524 9
Mid Mid (pH 6-8) 2.53 4.35 -54.64 1 9 -1 121 458.516 9

Activity (Go SEA)

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