UCSF

ZINC34388324

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 32 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) 3.98 10.26 -15.97 1 8 0 106 494.301 3
Hi High (pH 8-9.5) 3.98 11.17 -56.99 0 8 -1 109 493.293 3

Activity (Go SEA)

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