UCSF

ZINC08996379

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 38 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) 7.17 14.75 -66.95 0 6 -1 83 525.65 6
Mid Mid (pH 6-8) 6.59 14.89 -15.15 0 6 0 77 526.658 6
Mid Mid (pH 6-8) 7.62 14.63 -24.59 1 6 0 80 526.658 5

Activity (Go SEA)

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