UCSF

ZINC37057031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 0.97 4.12 -103.15 1 7 -2 126 285.277 6
Hi High (pH 8-9.5) 0.97 4.19 -168.57 0 7 -3 128 284.269 6

Activity (Go SEA)

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