UCSF

ZINC40177018

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.46 9.13 -22.79 1 6 0 79 396.365 5
Mid Mid (pH 6-8) 2.76 7.72 -51.46 0 6 -1 83 395.357 5

Activity (Go SEA)

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