UCSF

ZINC33967711

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 21 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) -3.43 -0.42 -117.51 8 8 1 154 303.383 10
Hi High (pH 8-9.5) -3.43 -0.91 -77.64 7 8 0 152 302.375 10

Activity (Go SEA)

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