UCSF

ZINC32149483

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 1.65 7.52 -52.1 0 5 -1 70 290.339 8
Lo Low (pH 4.5-6) 1.65 6.4 -12.13 1 5 0 67 291.347 8

Activity (Go SEA)

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