UCSF

ZINC20571223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 30 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) 4.95 8.91 -21.8 2 6 0 88 437.546 5
Hi High (pH 8-9.5) 5.02 8.08 -103.31 0 6 -2 97 435.53 5
Mid Mid (pH 6-8) 4.95 8.98 -48.95 1 6 -1 90 436.538 5

Activity (Go SEA)

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