UCSF

ZINC03974649

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 42 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) 9.07 10.2 -15.01 5 7 0 127 586.81 23
Hi High (pH 8-9.5) 9.07 10.97 -57.42 4 7 -1 130 585.802 23

Activity (Go SEA)

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