UCSF

ZINC37142487

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 4.20 8.11 -51.83 2 3 1 37 329.917 4
Hi High (pH 8-9.5) 4.20 7.08 -9.01 1 3 0 32 328.909 4

Activity (Go SEA)

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