UCSF

ZINC14982762

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 12 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) 1.13 5.06 -8.11 0 7 0 105 169.096 2
Lo Low (pH 4.5-6) 1.13 5.31 -40.23 1 7 1 106 170.104 2

Activity (Go SEA)

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