UCSF

ZINC08216963

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 29 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) 2.43 -0.1 -18.61 1 8 0 102 412.423 6
Mid Mid (pH 6-8) 1.84 -0.26 -22.63 0 8 0 98 412.423 6

Activity (Go SEA)

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