UCSF

ZINC08744025

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 26 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) 1.06 5.2 -54.62 4 7 1 95 374.49 3
Mid Mid (pH 6-8) 1.06 5.66 -115.04 5 7 2 96 375.498 3

Activity (Go SEA)

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