UCSF

ZINC09292167

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 31 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) 4.20 5.24 -10.14 3 7 0 106 457.317 5
Ref Reference (pH 7) 4.20 5.79 -10.9 3 7 0 106 457.317 5
Lo Low (pH 4.5-6) 4.20 5.67 -53.21 4 7 1 108 458.325 5

Activity (Go SEA)

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