UCSF

ZINC62954963

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) 3.86 10.26 -45.62 1 2 1 22 278.391 5
Mid Mid (pH 6-8) 3.86 8.08 -8.58 0 2 0 20 277.383 5

Activity (Go SEA)

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