UCSF

ZINC39881669

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 35 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) 6.47 13.97 -35.16 2 6 1 65 468.577 8
Mid Mid (pH 6-8) 6.47 13.83 -17.36 1 6 0 64 467.569 8

Activity (Go SEA)

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