UCSF

ZINC42769708

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 4.41 9.76 -35 2 2 1 20 307.355 8
Hi High (pH 8-9.5) 4.41 8.62 -3.42 1 2 0 15 306.347 8

Activity (Go SEA)

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