UCSF

ZINC34675621

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 23 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) 2.02 10.82 -56.81 2 6 1 63 309.397 2
Hi High (pH 8-9.5) 2.02 9.59 -11.19 1 6 0 58 308.389 2

Activity (Go SEA)

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