UCSF

ZINC08717983

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 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) 4.13 11.73 -12.66 2 4 0 66 427.331 2
Lo Low (pH 4.5-6) 6.73 -1.89 -36.38 3 4 1 67 428.339 2

Activity (Go SEA)

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