UCSF

ZINC23359128

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 29 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) 3.42 11.17 -44.91 2 4 1 37 390.551 4
Mid Mid (pH 6-8) 3.42 10.8 -43.14 2 4 1 37 390.551 4
Mid Mid (pH 6-8) 3.42 8.92 -8.87 1 4 0 36 389.543 4

Activity (Go SEA)

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