UCSF

ZINC32228663

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 3.52 10.92 -36.41 2 3 1 26 313.465 7
Hi High (pH 8-9.5) 3.52 8.32 -4.58 1 3 0 24 312.457 7

Activity (Go SEA)

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