UCSF

ZINC05595908

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 29 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) 3.21 6.95 -59.41 1 6 -1 94 408.817 5
Mid Mid (pH 6-8) 3.65 -0.15 -17.89 2 6 0 90 409.825 4

Activity (Go SEA)

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