UCSF

ZINC19995860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) -1.42 2 -49.99 4 7 1 87 312.419 5
Hi High (pH 8-9.5) -1.42 0.63 -9.41 3 7 0 82 311.411 5
Hi High (pH 8-9.5) -1.42 0.64 -9.66 3 7 0 82 311.411 5

Activity (Go SEA)

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