UCSF

ZINC37136631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 2.92 0.86 -12.03 5 5 0 87 291.738 4
Hi High (pH 8-9.5) 2.92 1.62 -43.54 4 5 -1 90 290.73 4

Activity (Go SEA)

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