UCSF

ZINC14252177

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 19 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) 2.34 5.27 -44.19 2 4 1 51 283.417 4
Hi High (pH 8-9.5) 2.34 2.85 -7.95 1 4 0 49 282.409 4

Activity (Go SEA)

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