UCSF

ZINC36662063

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) 4.76 10.24 -14.66 1 5 0 71 392.956 7
Lo Low (pH 4.5-6) 4.76 10.62 -37.09 2 5 1 72 393.964 7

Activity (Go SEA)

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