UCSF

ZINC31975558

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 4.73 9.24 -56.34 3 3 1 45 314.84 3
Hi High (pH 8-9.5) 4.73 8.94 -8.14 2 3 0 43 313.832 3
Lo Low (pH 4.5-6) 4.73 9.66 -107 4 3 2 46 315.848 3

Activity (Go SEA)

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