UCSF

ZINC20530664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 38 Yes

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) 3.56 8.32 -49.76 2 9 1 88 519.67 10
Mid Mid (pH 6-8) 3.56 8.39 -46.93 2 9 1 88 519.67 10
Mid Mid (pH 6-8) 3.56 6.01 -12.47 1 9 0 87 518.662 10

Activity (Go SEA)

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