UCSF

ZINC62952077

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 2.78 8.42 -129.98 4 2 2 32 278.415 3
Mid Mid (pH 6-8) 2.78 6.55 -47.7 3 2 1 31 277.407 3
Mid Mid (pH 6-8) 2.78 8.09 -38.5 3 2 1 30 277.407 3

Activity (Go SEA)

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