UCSF

ZINC37302050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 1.63 5.7 -52.42 2 5 1 61 286.735 6
Hi High (pH 8-9.5) 1.63 4.34 -8.77 1 5 0 57 285.727 6

Activity (Go SEA)

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