UCSF

ZINC34323335

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 26 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) 1.10 0.82 -17.66 2 9 0 118 398.466 9
Hi High (pH 8-9.5) 1.10 1.31 -40.29 1 9 -1 116 397.458 9

Activity (Go SEA)

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