UCSF

ZINC26479904

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 11 No

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) 0.27 0.71 -55.38 3 5 -1 91 172.189 2
Mid Mid (pH 6-8) 0.27 0.52 -83.28 4 5 0 93 173.197 2

Activity (Go SEA)

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