UCSF

ZINC00053509

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 21 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) 4.24 9.07 -38.16 2 2 1 25 278.375 4
Hi High (pH 8-9.5) 4.24 9.83 -30.64 1 2 0 27 277.367 4

Activity (Go SEA)

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