UCSF

ZINC36613316

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 31 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) 2.59 12.84 -49.93 1 6 1 55 416.549 4
Mid Mid (pH 6-8) 2.59 10.59 -9.85 0 6 0 54 415.541 4

Activity (Go SEA)

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