UCSF

ZINC32216154

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) 4.73 11.18 -31.67 2 2 1 16 311.493 8
Lo Low (pH 4.5-6) 4.73 12.59 -122.57 3 2 2 21 312.501 8

Activity (Go SEA)

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