UCSF

ZINC34518616

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) -0.61 -0.22 -56.73 6 10 1 169 438.577 6
Hi High (pH 8-9.5) -0.61 0.53 -71.06 5 10 0 167 437.569 6

Activity (Go SEA)

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