UCSF

ZINC44243661

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 2.82 2.77 -42.04 2 5 -1 87 355.237 3
Mid Mid (pH 6-8) 2.82 2.7 -8.25 3 5 0 85 356.245 3

Activity (Go SEA)

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