UCSF

ZINC36863340

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 Yes

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) 0.61 4.76 -13.35 2 5 0 64 258.325 4
Lo Low (pH 4.5-6) 0.61 5.18 -35.93 3 5 1 65 259.333 4

Activity (Go SEA)

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