UCSF

ZINC32194774

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 29 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) 3.99 9.3 -49.92 0 5 -1 69 476.347 6
Mid Mid (pH 6-8) 3.99 9.31 -13.49 1 5 0 66 477.355 6

Activity (Go SEA)

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