UCSF

ZINC06282454

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 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) 2.20 4.98 -61.91 1 7 -1 99 461.288 7
Lo Low (pH 4.5-6) 2.20 4.16 -19.31 2 7 0 96 462.296 7

Activity (Go SEA)

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