UCSF

ZINC08994914

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 28 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) 1.72 3.45 -48.05 0 8 -1 103 381.364 5
Lo Low (pH 4.5-6) 1.27 6.16 -13.89 1 8 0 100 382.372 5

Activity (Go SEA)

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