UCSF

ZINC34687977

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 3.24 8.22 -28.58 1 7 0 92 432.502 5
Hi High (pH 8-9.5) 3.43 5.82 -62.01 0 7 -1 99 431.494 5

Activity (Go SEA)

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