UCSF

ZINC36994349

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 4.88 11.52 -43.31 2 1 1 17 318.531 6
Hi High (pH 8-9.5) 4.88 10.67 -4.86 1 1 0 12 317.523 6

Activity (Go SEA)

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