UCSF

ZINC37813863

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -1.70 0.23 -49.22 4 8 1 113 276.313 10
Hi High (pH 8-9.5) -1.70 -0.19 -14.04 3 8 0 111 275.305 10

Activity (Go SEA)

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