UCSF

ZINC44518721

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 1.71 6.61 -95.89 3 3 2 24 243.439 8
Hi High (pH 8-9.5) 1.71 5.4 -31.03 2 3 1 20 242.431 8
Mid Mid (pH 6-8) 1.71 8.72 -182.84 4 3 3 25 244.447 8
Mid Mid (pH 6-8) 1.71 7.5 -74.45 3 3 2 21 243.439 8

Activity (Go SEA)

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