UCSF

ZINC32869527

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 21 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) -0.20 2.32 -39.6 3 6 1 66 293.391 6
Hi High (pH 8-9.5) -0.20 2.38 -47.29 3 6 1 66 293.391 6
Mid Mid (pH 6-8) -0.20 0.27 -11.32 2 6 0 65 292.383 6
Lo Low (pH 4.5-6) -0.20 4.62 -114.76 4 6 2 67 294.399 6

Activity (Go SEA)

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