UCSF

ZINC20606196

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 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) 4.80 12.71 -62.6 0 5 -1 64 419.545 8
Lo Low (pH 4.5-6) 4.80 11.88 -13.34 1 5 0 61 420.553 8

Activity (Go SEA)

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