UCSF

ZINC45703988

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 0.66 4.69 -40.03 2 4 1 40 244.403 9
Hi High (pH 8-9.5) 0.66 3.04 -8.29 1 4 0 36 243.395 9
Mid Mid (pH 6-8) 0.66 6.72 -115.13 3 4 2 41 245.411 9
Mid Mid (pH 6-8) 0.66 5.42 -34.54 2 4 1 37 244.403 9

Activity (Go SEA)

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