UCSF

ZINC08739858

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 34 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) 2.06 7.8 -65.6 0 8 -1 101 457.462 6
Lo Low (pH 4.5-6) 2.06 7.06 -17.09 1 8 0 98 458.47 6

Activity (Go SEA)

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