UCSF

ZINC36300289

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 2.34 6.47 -100.01 3 3 2 34 290.238 3
Mid Mid (pH 6-8) 2.34 5.12 -31.32 2 3 1 29 289.23 3
Mid Mid (pH 6-8) 2.34 4.18 -40.2 2 3 1 33 289.23 3

Activity (Go SEA)

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