UCSF

ZINC36637348

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 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) 6.02 13.3 -49.39 1 4 1 38 416.998 6
Hi High (pH 8-9.5) 6.02 10.88 -7.93 0 4 0 36 415.99 6

Activity (Go SEA)

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