UCSF

ZINC31918180

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) 3.75 11.59 -41.65 2 4 1 34 333.459 3
Hi High (pH 8-9.5) 3.75 10.32 -11.6 1 4 0 33 332.451 3
Lo Low (pH 4.5-6) 3.75 12 -88.51 3 4 2 35 334.467 3

Activity (Go SEA)

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