UCSF

ZINC37800963

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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 -1.54 -48.83 4 6 1 80 243.331 4
Hi High (pH 8-9.5) -1.10 -1.86 -13.22 3 6 0 79 242.323 4

Activity (Go SEA)

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