UCSF

ZINC36638185

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 33 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) 7.01 16.82 -55.86 1 4 1 38 458.651 8
Hi High (pH 8-9.5) 7.01 14.36 -13.86 0 4 0 36 457.643 8

Activity (Go SEA)

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