UCSF

ZINC41718361

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -0.29 2.16 -43.66 4 8 1 95 362.454 7
Hi High (pH 8-9.5) -0.29 -0.1 -11.63 3 8 0 94 361.446 7

Activity (Go SEA)

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