UCSF

ZINC34873042

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 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) 1.95 7.42 -47.93 3 4 1 49 286.399 5
Hi High (pH 8-9.5) 1.95 4.95 -10.68 2 4 0 48 285.391 5

Activity (Go SEA)

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