UCSF

ZINC11638656

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2008 16 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) 2.40 6.21 -40.19 3 4 1 59 224.328 8
Mid Mid (pH 6-8) 2.40 5.75 -14.13 2 4 0 58 223.32 8
Mid Mid (pH 6-8) 2.40 5.72 -13.52 2 4 0 58 223.32 8

Activity (Go SEA)

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