UCSF

ZINC36622531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 22 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) 3.32 3.71 -15.15 3 7 0 115 302.286 4
Hi High (pH 8-9.5) 3.32 5.48 -102.02 1 7 -2 121 300.27 4
Mid Mid (pH 6-8) 3.32 4.47 -37.22 2 7 -1 118 301.278 4

Activity (Go SEA)

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