UCSF

ZINC28250362

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 25 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) 1.95 0.24 -18.98 2 8 0 111 386.451 7
Hi High (pH 8-9.5) 1.95 0.31 -40.83 1 8 -1 113 385.443 7
Hi High (pH 8-9.5) 1.95 0.31 -49.25 1 8 -1 113 385.443 7
Hi High (pH 8-9.5) 1.95 0.38 -99.99 0 8 -2 115 384.435 7

Activity (Go SEA)

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