UCSF

ZINC16578128

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 33 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) 3.74 9.73 -14.83 0 9 0 91 452.511 4
Lo Low (pH 4.5-6) 3.74 11.97 -57.95 1 9 1 92 453.519 4

Activity (Go SEA)

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