UCSF

ZINC20725845

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 21 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) 1.84 3.27 -12.93 2 6 0 88 303.343 3
Ref Reference (pH 7) 1.66 5.73 -13.09 2 6 0 84 303.343 3
Hi High (pH 8-9.5) 1.74 3.22 -47.12 0 6 -1 86 302.335 3
Mid Mid (pH 6-8) 1.66 5.72 -11.33 2 6 0 84 303.343 3
Mid Mid (pH 6-8) 1.84 3.29 -10.46 2 6 0 88 303.343 3

Activity (Go SEA)

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