UCSF

ZINC38241366

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 31 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) 3.86 9.66 -56.95 0 6 -1 79 440.903 7
Lo Low (pH 4.5-6) 3.86 8.9 -11.11 1 6 0 76 441.911 7

Activity (Go SEA)

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