UCSF

ZINC74774643

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2012 22 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) 0.41 3.88 -14.43 0 6 0 51 308.378 5
Mid Mid (pH 6-8) 0.41 6.3 -47.32 1 6 1 52 309.386 5

Activity (Go SEA)

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