UCSF

ZINC08993352

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 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) 2.90 6.47 -13.27 0 7 0 74 414.417 3
Lo Low (pH 4.5-6) 2.90 0.45 -115.09 2 7 2 76 416.433 3

Activity (Go SEA)

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