UCSF

ZINC19230914

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 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) 1.10 3.19 -43.42 3 5 1 68 304.823 2
Hi High (pH 8-9.5) 1.10 1.04 -11.01 2 5 0 67 303.815 2

Activity (Go SEA)

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