UCSF

ZINC42173754

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 19 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) 0.55 3.55 -49.07 3 4 1 51 266.409 4
Mid Mid (pH 6-8) 0.55 5.77 -118.53 4 4 2 52 267.417 4

Activity (Go SEA)

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