UCSF

ZINC21704455

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 33 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) 3.38 5.62 -24.93 1 9 0 105 487.607 8
Hi High (pH 8-9.5) 3.20 4.72 -50.45 0 9 -1 111 486.599 8
Mid Mid (pH 6-8) 3.38 8 -65.87 2 9 1 106 488.615 8

Activity (Go SEA)

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