UCSF

ZINC31963341

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 1.03 3.62 -58.86 4 5 1 83 257.383 8
Hi High (pH 8-9.5) 1.22 2.55 -63.09 3 5 0 89 256.375 8

Activity (Go SEA)

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