UCSF

ZINC09110148

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 35 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) 4.45 9.7 -131.84 0 8 -2 119 471.465 7
Mid Mid (pH 6-8) 4.90 9.33 -80.95 1 8 -1 116 472.473 6
Mid Mid (pH 6-8) 3.87 11.4 -61.13 0 8 -1 113 472.473 7

Activity (Go SEA)

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