UCSF

ZINC49807947

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 16 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) 2.38 4.51 -15.45 1 4 0 64 216.192 0
Hi High (pH 8-9.5) 2.38 5.42 -61.6 0 4 -1 66 215.184 0

Activity (Go SEA)

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