UCSF

ZINC36975595

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 4.13 9.27 -36.72 2 2 1 16 293.862 4
Lo Low (pH 4.5-6) 4.13 9.93 -116.57 3 2 2 21 294.87 4

Activity (Go SEA)

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