UCSF

ZINC37481848

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 12 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) -0.85 -3.86 -38.6 6 5 1 100 172.208 5
Hi High (pH 8-9.5) -0.85 -4.22 -11.03 5 5 0 98 171.2 5

Activity (Go SEA)

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