UCSF

ZINC36744889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) -0.13 -1.91 -66.19 5 7 1 115 300.36 5
Hi High (pH 8-9.5) -0.13 -3.03 -17.14 4 7 0 111 299.352 5

Activity (Go SEA)

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