UCSF

ZINC01116452

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 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) 4.63 -2.96 -17.65 2 5 0 75 408.523 6
Hi High (pH 8-9.5) 4.63 -2.5 -51.57 1 5 -1 77 407.515 6

Activity (Go SEA)

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