UCSF

ZINC76431652

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2012 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.85 10.44 -38.97 1 5 1 51 325.473 6
Mid Mid (pH 6-8) 2.85 8.26 -8.2 0 5 0 50 324.465 6

Activity (Go SEA)

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