UCSF

ZINC37467105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 12 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) -0.08 0.83 -42.26 4 3 1 57 185.272 3
Hi High (pH 8-9.5) -0.08 0.51 -7.23 3 3 0 55 184.264 3

Activity (Go SEA)

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