UCSF

ZINC16806202

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 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) 5.41 14.23 -70.64 1 6 0 74 478.633 14
Mid Mid (pH 6-8) 5.85 13.14 -53.96 2 6 1 71 479.641 13
Mid Mid (pH 6-8) 4.82 14.17 -51.59 1 6 1 68 479.641 14

Activity (Go SEA)

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