UCSF

ZINC32106498

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 1.20 3.31 -44.3 3 4 1 55 252.334 8
Hi High (pH 8-9.5) 1.20 1.86 -7.31 2 4 0 51 251.326 8

Activity (Go SEA)

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