UCSF

ZINC40747401

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) 3.35 7.12 -31.11 2 2 1 16 279.473 4
Mid Mid (pH 6-8) 3.35 6.51 -35.8 2 2 1 20 279.473 4
Mid Mid (pH 6-8) 3.35 8.4 -93.06 3 2 2 21 280.481 4

Activity (Go SEA)

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