UCSF

ZINC42237969

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 1.62 2.07 -10.32 2 5 0 79 288.394 5
Mid Mid (pH 6-8) 2.08 -0.25 -42 1 5 -1 82 287.386 5

Activity (Go SEA)

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