UCSF

ZINC32607207

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 26 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) 3.05 6.9 -43.2 2 5 1 64 372.445 4
Mid Mid (pH 6-8) 3.05 6.49 -12.59 1 5 0 62 371.437 4

Activity (Go SEA)

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