UCSF

ZINC34873352

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 26 No

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) 2.13 6.86 -66.67 2 7 -1 115 349.322 4
Hi High (pH 8-9.5) 2.13 7.67 -121 1 7 -2 118 348.314 4

Activity (Go SEA)

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