UCSF

ZINC31604845

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2009 20 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) 4.23 5.93 -18.86 2 4 0 59 271.316 5
Hi High (pH 8-9.5) 4.23 6.95 -63.89 1 4 -1 61 270.308 5

Activity (Go SEA)

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