UCSF

ZINC32215360

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 1.80 7.77 -87.67 3 5 2 49 312.454 12
Hi High (pH 8-9.5) 1.80 5.19 -49.4 2 5 1 48 311.446 12

Activity (Go SEA)

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