UCSF

ZINC32107486

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 3.33 6.97 -49.2 0 4 -1 59 251.302 9
Lo Low (pH 4.5-6) 3.33 5.85 -11.15 1 4 0 56 252.31 9

Activity (Go SEA)

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