UCSF

ZINC32957751

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

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) 5.67 12.61 -19.82 2 6 0 76 495.41 6
Mid Mid (pH 6-8) 5.67 13.04 -47.83 3 6 1 77 496.418 6

Activity (Go SEA)

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