UCSF

ZINC38439057

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 20 No

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) 0.67 9.63 -91.8 2 4 2 43 282.428 6
Hi High (pH 8-9.5) 0.67 5.17 -9.48 0 4 0 41 280.412 6
Mid Mid (pH 6-8) 0.67 7.38 -35.91 1 4 1 42 281.42 6

Activity (Go SEA)

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