UCSF

ZINC36676759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 26 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) 4.23 9.48 -10.59 1 5 0 56 389.908 7
Lo Low (pH 4.5-6) 4.23 9.93 -35.38 2 5 1 57 390.916 7

Activity (Go SEA)

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