UCSF

ZINC36721478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 14 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) 1.36 1.92 -7.87 1 4 0 49 285.207 4
Hi High (pH 8-9.5) 1.36 1.63 -38.37 0 4 -1 51 284.199 4

Activity (Go SEA)

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