UCSF

ZINC32089321

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) -0.90 2.36 -61.81 3 7 0 97 329.441 8
Mid Mid (pH 6-8) -0.90 0.81 -62.86 2 7 -1 96 328.433 8

Activity (Go SEA)

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