UCSF

ZINC34934376

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 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) 3.76 6.91 -13.38 1 7 0 93 465.399 8
Hi High (pH 8-9.5) 3.76 7.42 -49.19 0 7 -1 95 464.391 8

Activity (Go SEA)

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