UCSF

ZINC34875090

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -3.93 -2.68 -83.77 8 11 0 198 387.437 12
Mid Mid (pH 6-8) -3.93 -3.01 -51.14 7 11 -1 197 386.429 12

Activity (Go SEA)

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