UCSF

ZINC31918042

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.62 10.63 -45.12 3 4 1 48 335.475 3
Hi High (pH 8-9.5) 3.62 8.29 -11.99 2 4 0 47 334.467 3
Lo Low (pH 4.5-6) 3.62 11.04 -90.76 4 4 2 49 336.483 3

Activity (Go SEA)

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