UCSF

ZINC37041135

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.86 0.11 -55.11 5 6 1 103 300.404 7
Hi High (pH 8-9.5) 0.86 -0.19 -12.15 4 6 0 101 299.396 7

Activity (Go SEA)

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