UCSF

ZINC37042226

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 1.33 2.13 -46.33 5 4 1 77 251.35 6
Hi High (pH 8-9.5) 1.33 1.8 -9.93 4 4 0 75 250.342 6

Activity (Go SEA)

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