UCSF

ZINC21916637

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 24 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) 0.42 5.84 -54.4 2 7 1 80 331.396 4
Hi High (pH 8-9.5) 0.42 3.62 -19.58 1 7 0 79 330.388 4
Mid Mid (pH 6-8) 0.88 4.79 -43.27 1 7 0 83 330.388 4

Activity (Go SEA)

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