UCSF

ZINC16483018

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 27 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) 2.16 7.44 -51.6 2 8 1 88 381.449 9
Hi High (pH 8-9.5) 2.16 5.26 -14.19 1 8 0 86 380.441 9

Activity (Go SEA)

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