UCSF

ZINC22114926

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 11 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) 1.40 4.22 -45.67 0 3 -1 64 146.125 1
Mid Mid (pH 6-8) 1.40 3.18 -13.15 1 3 0 61 147.133 1

Activity (Go SEA)

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