UCSF

ZINC18076494

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 29 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) 3.08 7.76 -14.06 1 6 0 76 410.495 7
Hi High (pH 8-9.5) 3.08 7.87 -44.45 0 6 -1 78 409.487 7

Activity (Go SEA)

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