UCSF

ZINC06313604

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 31 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) 2.76 8.23 -42 0 7 -1 92 423.489 10
Mid Mid (pH 6-8) 2.17 7.7 -22.22 0 7 0 86 424.497 10
Mid Mid (pH 6-8) 3.21 6.73 -28.81 1 7 0 89 424.497 9

Activity (Go SEA)

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