UCSF

ZINC34568566

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 36 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) 6.58 12.49 -43.56 2 5 1 52 502.656 7
Hi High (pH 8-9.5) 6.58 10.28 -11.42 1 5 0 51 501.648 7

Activity (Go SEA)

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