UCSF

ZINC16805255

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 37 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) 6.00 14.26 -60.35 0 6 -1 79 498.599 10
Mid Mid (pH 6-8) 6.45 12.8 -27.35 1 6 0 76 499.607 9
Mid Mid (pH 6-8) 5.42 14.12 -19.73 0 6 0 73 499.607 10

Activity (Go SEA)

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