UCSF

ZINC65731644

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 25 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) 4.17 10.28 -9.89 0 6 0 75 362.451 9
Lo Low (pH 4.5-6) 4.17 12.99 -50.57 1 6 1 77 363.459 9

Activity (Go SEA)

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