UCSF

ZINC13281324

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 18 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) 0.09 2.31 -7.12 2 5 0 71 247.298 4
Lo Low (pH 4.5-6) 0.09 2.59 -37.26 3 5 1 72 248.306 4

Activity (Go SEA)

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