UCSF

ZINC37819674

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -1.10 -3.29 -49.78 5 8 1 128 307.396 6
Hi High (pH 8-9.5) -1.10 -3.64 -17.98 4 8 0 127 306.388 6

Activity (Go SEA)

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