UCSF

ZINC36642849

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 3.76 9.95 -49.6 1 6 1 56 392.545 9
Hi High (pH 8-9.5) 3.76 7.84 -14.32 0 6 0 55 391.537 9

Activity (Go SEA)

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