UCSF

ZINC21506611

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 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) 0.62 2.77 -65.41 1 7 -1 113 353.159 4
Hi High (pH 8-9.5) 0.62 2.4 -107.21 0 7 -2 115 352.151 4

Activity (Go SEA)

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