UCSF

ZINC37741408

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.30 5.69 -33.69 2 2 1 16 197.346 4
Hi High (pH 8-9.5) 2.30 3.32 -0.85 1 2 0 15 196.338 4
Lo Low (pH 4.5-6) 2.30 4.62 -36.75 2 2 1 20 197.346 4
Lo Low (pH 4.5-6) 2.30 7 -106.99 3 2 2 21 198.354 4

Activity (Go SEA)

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