UCSF

ZINC32665065

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 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) 3.06 10.58 -39.26 1 4 1 28 372.92 6
Hi High (pH 8-9.5) 3.06 8.34 -8.8 0 4 0 27 371.912 6
Mid Mid (pH 6-8) 3.06 10.72 -42.48 1 4 1 28 372.92 6

Activity (Go SEA)

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