UCSF

ZINC71842561

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2012 22 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) 4.14 9.28 -36.82 2 4 1 43 307.458 10
Hi High (pH 8-9.5) 4.14 7.03 -8.61 1 4 0 42 306.45 10

Activity (Go SEA)

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