UCSF

ZINC32073016

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 2.89 5.11 -41.49 2 4 1 51 323.841 7
Hi High (pH 8-9.5) 2.89 3.19 -6.58 1 4 0 49 322.833 7

Activity (Go SEA)

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