UCSF

ZINC19635841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 22 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) 3.10 10.23 -88.4 3 3 2 21 305.51 9
Hi High (pH 8-9.5) 3.10 7.92 -38.62 2 3 1 20 304.502 9

Activity (Go SEA)

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