UCSF

ZINC06995544

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2006 16 No

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) 0.05 9.5 -50.36 1 8 1 84 227.248 2
Mid Mid (pH 6-8) 0.05 7.14 -9.29 0 8 0 83 226.24 2

Activity (Go SEA)

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