UCSF

ZINC16294418

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 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) 3.09 7.38 -60 0 8 -1 99 492.577 8
Mid Mid (pH 6-8) 3.54 8.63 -61.54 2 8 1 97 494.593 7
Mid Mid (pH 6-8) 2.51 9.59 -63.12 1 8 1 94 494.593 8
Mid Mid (pH 6-8) 3.09 9.71 -77.9 1 8 0 100 493.585 8

Activity (Go SEA)

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