UCSF

ZINC42894742

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 3.47 8.93 -50.21 2 3 1 50 267.352 6
Hi High (pH 8-9.5) 3.47 7.79 -7.81 1 3 0 45 266.344 6

Activity (Go SEA)

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