UCSF

ZINC22762239

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 25 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) 3.72 9.81 -21.08 1 5 0 60 372.45 3
Hi High (pH 8-9.5) 3.79 8.71 -52.73 0 5 -1 66 371.442 3

Activity (Go SEA)

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