UCSF

ZINC45696412

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 3.78 10.54 -39.81 1 4 0 48 329.238 7
Hi High (pH 8-9.5) 3.78 8.06 -44.29 0 4 -1 47 328.23 7

Activity (Go SEA)

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