UCSF

ZINC25263892

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 16 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) 0.78 6.66 -14.09 1 4 0 47 215.256 3
Mid Mid (pH 6-8) 0.78 7.18 -43.53 2 4 1 48 216.264 3

Activity (Go SEA)

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