UCSF

ZINC17744593

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 20 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) 3.82 8.2 -36.62 2 2 1 20 273.444 4
Mid Mid (pH 6-8) 3.82 10.51 -109.23 3 2 2 21 274.452 4

Activity (Go SEA)

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