UCSF

ZINC29059863

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 29 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) 4.31 12.57 -50.14 1 4 1 32 396.551 7
Hi High (pH 8-9.5) 4.31 10.2 -9.19 0 4 0 31 395.543 7

Activity (Go SEA)

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