UCSF

ZINC32579561

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2009 28 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) 0.79 6.71 -25.32 1 8 0 89 407.471 7
Mid Mid (pH 6-8) 0.86 5.48 -44.34 2 8 1 94 408.479 7

Activity (Go SEA)

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