UCSF

ZINC32825158

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 23 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) 2.14 8.18 -47.2 1 6 1 60 316.381 5
Hi High (pH 8-9.5) 2.14 5.79 -9.99 0 6 0 59 315.373 5
Mid Mid (pH 6-8) 2.14 6.08 -36.44 1 6 1 60 316.381 5
Lo Low (pH 4.5-6) 2.14 8.47 -105.68 2 6 2 61 317.389 5

Activity (Go SEA)

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