UCSF

ZINC41324053

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 2.40 5.23 -40.66 2 3 1 20 254.785 4
Hi High (pH 8-9.5) 2.40 2.96 -3.13 1 3 0 19 253.777 4
Mid Mid (pH 6-8) 2.40 5.33 -36.51 2 3 1 20 254.785 4

Activity (Go SEA)

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