UCSF

ZINC16732562

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 32 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) 3.90 10.14 -56.89 0 6 -1 83 432.427 8
Mid Mid (pH 6-8) 4.34 9.11 -28.64 1 6 0 80 433.435 7
Mid Mid (pH 6-8) 3.32 10.09 -24.36 0 6 0 77 433.435 8

Activity (Go SEA)

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