UCSF

ZINC20872540

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 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) 1.34 4.12 -56.64 4 7 1 97 345.375 8
Hi High (pH 8-9.5) 1.34 2.71 -18.43 3 7 0 92 344.367 8

Activity (Go SEA)

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