UCSF

ZINC36682922

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 18 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) 1.00 1.63 -18.61 3 5 0 81 288.394 7
Hi High (pH 8-9.5) 1.00 1.8 -52.65 2 5 -1 83 287.386 7

Activity (Go SEA)

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