UCSF

ZINC26323169

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 15 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) 0.20 3.76 -50.19 3 4 1 71 204.253 4
Hi High (pH 8-9.5) 0.20 1.4 -13.6 2 4 0 70 203.245 4

Activity (Go SEA)

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