UCSF

ZINC36686351

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 30 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) -0.09 5.59 -15.18 0 9 0 88 413.478 7
Mid Mid (pH 6-8) -0.09 7.72 -49.91 1 9 1 89 414.486 7

Activity (Go SEA)

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