UCSF

ZINC25256441

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 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) 0.40 3.58 -18.32 1 6 0 79 285.35 4
Hi High (pH 8-9.5) 0.22 2.52 -39 0 6 -1 86 284.342 4

Activity (Go SEA)

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