UCSF

ZINC16730006

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 37 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) 6.02 14.1 -53.59 0 7 -1 92 502.587 13
Mid Mid (pH 6-8) 6.47 12.16 -27.1 1 7 0 89 503.595 12
Mid Mid (pH 6-8) 5.44 13.17 -18.18 0 7 0 86 503.595 13

Activity (Go SEA)

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