UCSF

ZINC25262568

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 25 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) 1.90 6.42 -57.71 2 6 1 63 344.387 5
Hi High (pH 8-9.5) 1.90 5.01 -13.22 1 6 0 58 343.379 5

Activity (Go SEA)

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