UCSF

ZINC09359232

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 32 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) 2.12 6.21 -62.13 0 8 -1 107 457.528 8
Lo Low (pH 4.5-6) 2.12 5.39 -17.79 1 8 0 104 458.536 8

Activity (Go SEA)

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