UCSF

ZINC37043899

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 4.04 4.59 -7.93 2 4 0 51 328.195 5
Hi High (pH 8-9.5) 4.04 5.35 -38.41 1 4 -1 54 327.187 5

Activity (Go SEA)

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