UCSF

ZINC06458992

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 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) 4.05 7.38 -23.52 2 7 0 108 426.885 6
Hi High (pH 8-9.5) 4.50 6.27 -49.01 1 7 -1 111 425.877 6

Activity (Go SEA)

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