UCSF

ZINC18203126

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 19 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) 4.46 7.8 -49.3 1 3 -1 60 253.277 3
Hi High (pH 8-9.5) 4.46 8.83 -104.37 0 3 -2 63 252.269 3
Mid Mid (pH 6-8) 3.27 8.9 -41.31 0 3 -1 57 253.277 4
Mid Mid (pH 6-8) 3.27 7.87 -12.72 1 3 0 54 254.285 4

Activity (Go SEA)

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