UCSF

ZINC33745402

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 23 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) 3.57 8.74 -15.76 1 7 0 101 354.819 6
Mid Mid (pH 6-8) 3.64 7.82 -43.97 0 7 -1 107 353.811 6

Activity (Go SEA)

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