UCSF

ZINC09210794

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 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) 3.36 8.16 -60.98 0 8 -1 97 468.526 11
Mid Mid (pH 6-8) 3.81 7.82 -27.93 1 8 0 95 469.534 10
Mid Mid (pH 6-8) 2.78 8.81 -22.36 0 8 0 91 469.534 11

Activity (Go SEA)

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