UCSF

ZINC37032552

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.61 1.61 -48.8 5 5 1 86 266.296 3
Hi High (pH 8-9.5) 0.61 1.31 -10.14 4 5 0 84 265.288 3

Activity (Go SEA)

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