UCSF

ZINC09271453

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 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) 3.86 9.5 -104.7 0 6 -2 101 452.677 6
Mid Mid (pH 6-8) 3.27 -0.52 -47.17 0 6 -1 94 453.685 6
Mid Mid (pH 6-8) 3.86 9.41 -49.18 1 6 -1 98 453.685 6

Activity (Go SEA)

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