UCSF

ZINC23080529

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 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) 3.43 7.86 -12.61 1 4 0 59 349.868 3
Hi High (pH 8-9.5) 3.89 5.42 -53.85 0 4 -1 62 348.86 3

Activity (Go SEA)

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