UCSF

ZINC42446432

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.79 5 -112.88 4 2 2 32 186.343 3
Mid Mid (pH 6-8) 1.79 3.12 -39.36 3 2 1 31 185.335 3
Mid Mid (pH 6-8) 1.79 4.67 -27.72 3 2 1 30 185.335 3

Activity (Go SEA)

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