UCSF

ZINC20189594

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 23 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) -0.36 3.55 -49.73 4 7 1 87 340.473 7
Hi High (pH 8-9.5) -0.35 2.18 -9.13 3 7 0 82 339.465 7

Activity (Go SEA)

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