UCSF

ZINC19518914

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) -1.26 -0.75 -47.33 3 4 1 51 172.252 2
Hi High (pH 8-9.5) -1.26 -1.15 -8.47 2 4 0 50 171.244 2

Activity (Go SEA)

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