UCSF

ZINC58181233

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 21 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) 1.53 4.29 -10.06 1 5 0 53 358.211 5
Mid Mid (pH 6-8) 1.53 6.32 -32.56 2 5 1 54 359.219 5

Activity (Go SEA)

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