UCSF

ZINC01498355

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 27 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) 3.16 6.45 -14.5 0 6 0 76 382.441 3
Lo Low (pH 4.5-6) 3.16 6.59 -33.57 1 6 0 77 383.449 3

Activity (Go SEA)

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