UCSF

ZINC32227461

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) 1.36 8.95 -52.32 0 5 -1 73 311.361 8
Lo Low (pH 4.5-6) 1.36 7.83 -13.88 1 5 0 71 312.369 8
Lo Low (pH 4.5-6) 1.36 9.38 -70.31 1 5 0 75 312.369 8

Activity (Go SEA)

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