UCSF

ZINC04239217

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 29 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) 4.93 9.84 -12 1 6 0 66 385.423 5
Mid Mid (pH 6-8) 4.93 10.18 -28.89 2 6 1 67 386.431 5

Activity (Go SEA)

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