UCSF

ZINC32697754

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 19 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) 2.37 5.04 -26.47 3 5 1 60 258.349 2
Hi High (pH 8-9.5) 2.37 4.65 -11.61 2 5 0 58 257.341 2
Mid Mid (pH 6-8) 2.37 7.35 -83.94 4 5 2 61 259.357 2

Activity (Go SEA)

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