UCSF

ZINC09192898

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 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) 3.85 8.81 -60.21 0 8 -1 97 482.553 12
Mid Mid (pH 6-8) 4.30 7.71 -31 1 8 0 95 483.561 11
Mid Mid (pH 6-8) 3.27 0.67 -24.51 0 8 0 91 483.561 12

Activity (Go SEA)

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