UCSF

ZINC12377194

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2008 20 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) 4.44 7.11 -47.57 0 3 -1 52 282.706 1
Mid Mid (pH 6-8) 4.44 6.77 -8.9 1 3 0 50 283.714 1
Mid Mid (pH 6-8) 4.44 6.23 -9.19 1 3 0 50 283.714 1

Activity (Go SEA)

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