UCSF

ZINC09241008

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 27 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) 3.89 3.52 -8.18 4 6 0 108 399.237 2
Hi High (pH 8-9.5) 3.89 4.26 -38.76 3 6 -1 111 398.229 2
Mid Mid (pH 6-8) 3.89 3.54 -42.24 3 6 -1 111 398.229 2
Lo Low (pH 4.5-6) 3.89 3.85 -56.13 5 6 1 110 400.245 2

Activity (Go SEA)

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