UCSF

ZINC08996674

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 34 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) 5.00 9.78 -57.34 0 7 -1 92 491.57 6
Mid Mid (pH 6-8) 5.00 9.65 -14.83 1 7 0 89 492.578 6
Mid Mid (pH 6-8) 4.41 10.01 -13.51 0 7 0 86 492.578 6

Activity (Go SEA)

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