UCSF

ZINC63693143

Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 25 Yes

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) 3.75 9.92 -34.28 1 5 1 42 343.495 7
Hi High (pH 8-9.5) 3.75 9.17 -13.99 0 5 0 41 342.487 7

Activity (Go SEA)

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