UCSF

ZINC09831771

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 26 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) 3.76 11.21 -43.65 2 5 0 71 352.434 8
Hi High (pH 8-9.5) 3.76 9.85 -51.08 1 5 -1 66 351.426 8

Activity (Go SEA)

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