UCSF

ZINC32073738

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 21 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) 1.21 8.3 -52.86 2 5 0 74 300.443 10
Hi High (pH 8-9.5) 1.21 6.55 -43.6 1 5 -1 72 299.435 10

Activity (Go SEA)

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