UCSF

ZINC32760995

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 26 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) 3.06 9.41 -41.47 2 4 1 37 352.502 8
Mid Mid (pH 6-8) 3.06 9.42 -43.7 2 4 1 37 352.502 8
Mid Mid (pH 6-8) 3.06 7.15 -8.72 1 4 0 36 351.494 8

Activity (Go SEA)

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