UCSF

ZINC27020912

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 32 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) 2.17 6.32 -62.81 0 8 -1 97 438.456 8
Lo Low (pH 4.5-6) 2.17 5.5 -18.85 1 8 0 95 439.464 8

Activity (Go SEA)

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