UCSF

ZINC28476381

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 27 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) 4.68 6.93 -16.61 3 6 0 100 368.385 4
Hi High (pH 8-9.5) 4.68 7.43 -42.99 2 6 -1 103 367.377 4

Activity (Go SEA)

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