UCSF

ZINC08997614

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 4.70 10.42 -49.14 0 6 -1 80 472.883 4
Lo Low (pH 4.5-6) 4.24 12.87 -11.01 1 6 0 77 473.891 4

Activity (Go SEA)

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