UCSF

ZINC16729369

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 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) 5.19 14.75 -73.03 1 6 0 74 478.633 12
Mid Mid (pH 6-8) 5.64 13.23 -59.1 2 6 1 71 479.641 11
Mid Mid (pH 6-8) 4.61 14.58 -54.44 1 6 1 68 479.641 12

Activity (Go SEA)

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