UCSF

ZINC25462688

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 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) 1.74 7.91 -46.08 2 5 1 51 313.425 4
Mid Mid (pH 6-8) 1.74 5.68 -11.07 1 5 0 50 312.417 4

Activity (Go SEA)

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