UCSF

ZINC42409125

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 13 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) 1.69 6.9 -95.93 3 2 2 21 186.343 6
Hi High (pH 8-9.5) 1.69 5.54 -29.31 2 2 1 16 185.335 6
Mid Mid (pH 6-8) 1.69 4.98 -35.68 2 2 1 20 185.335 6

Activity (Go SEA)

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