UCSF

ZINC62160155

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 28 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) 3.97 8.18 -9.91 1 5 0 45 381.52 8
Mid Mid (pH 6-8) 3.97 10.48 -40.41 2 5 1 46 382.528 8

Activity (Go SEA)

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