UCSF

ZINC43248672

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 0.90 3.38 -33.55 4 4 1 60 282.433 4
Hi High (pH 8-9.5) 0.90 1.86 -7.1 3 4 0 58 281.425 4
Mid Mid (pH 6-8) 0.90 2.19 -36.46 4 4 1 60 282.433 4
Lo Low (pH 4.5-6) 0.90 3.72 -109.68 5 4 2 61 283.441 4

Activity (Go SEA)

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