UCSF

ZINC33175529

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2009 27 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) 2.57 6.23 -23.42 2 6 0 74 370.428 5
Mid Mid (pH 6-8) 2.57 6.52 -42.68 3 6 1 76 371.436 5

Activity (Go SEA)

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