UCSF

ZINC31897274

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 2.10 11.15 -46.8 1 7 1 75 396.533 11
Mid Mid (pH 6-8) 2.10 9.01 -14.91 0 7 0 74 395.525 11

Activity (Go SEA)

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