UCSF

ZINC29151131

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 28 No

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) 3.19 9.31 -18.22 1 6 0 79 393.468 4
Hi High (pH 8-9.5) 3.00 8.25 -52.03 0 6 -1 86 392.46 4

Activity (Go SEA)

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