UCSF

ZINC79621757

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2012 27 Yes

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) 2.48 8.41 -44.4 2 5 1 50 361.469 4
Hi High (pH 8-9.5) 2.48 6.04 -11.1 1 5 0 48 360.461 4

Activity (Go SEA)

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