UCSF

ZINC62158572

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 27 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) 2.69 9.81 -51.87 1 6 1 56 373.473 7
Mid Mid (pH 6-8) 2.69 7.58 -12.36 0 6 0 55 372.465 7

Activity (Go SEA)

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