UCSF

ZINC34839437

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 30 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) 4.52 12.16 -57.47 3 5 1 71 392.486 3
Hi High (pH 8-9.5) 4.52 11.88 -13.86 2 5 0 69 391.478 3

Activity (Go SEA)

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