UCSF

ZINC08327738

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2006 15 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) 3.02 6.07 -9.24 1 2 0 29 209.264 4
Mid Mid (pH 6-8) 3.08 3.73 -4.58 1 2 0 33 209.264 4

Activity (Go SEA)

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