UCSF

ZINC39128310

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) 1.80 3.04 -55.33 0 2 -1 40 171.122 1
Mid Mid (pH 6-8) 1.80 2.28 -13.22 1 2 0 37 172.13 1

Activity (Go SEA)

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