UCSF

ZINC06997808

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2006 29 No

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) 5.04 12.48 -55.04 1 6 -1 106 426.235 5
Hi High (pH 8-9.5) 5.23 10.76 -102.13 0 6 -2 112 425.227 5

Activity (Go SEA)

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