UCSF

ZINC40747562

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) 4.64 7.72 -26.67 2 2 1 16 267.481 8
Mid Mid (pH 6-8) 4.64 8.91 -33.89 2 2 1 20 267.481 8
Mid Mid (pH 6-8) 4.64 9 -97.44 3 2 2 21 268.489 8

Activity (Go SEA)

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