UCSF

ZINC45393471

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 26 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) 3.14 6.31 -14.36 1 8 0 111 359.334 7
Mid Mid (pH 6-8) 3.14 7.08 -36.77 0 8 -1 114 358.326 7

Activity (Go SEA)

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