UCSF

ZINC37096852

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 Yes

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) 1.82 4.18 -42.51 3 2 1 31 185.335 7
Mid Mid (pH 6-8) 1.82 5.77 -111.96 4 2 2 32 186.343 7
Mid Mid (pH 6-8) 1.82 5.71 -25.23 3 2 1 30 185.335 7

Activity (Go SEA)

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