UCSF

ZINC25510920

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 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) 3.32 8.89 -14.64 2 8 0 90 490.992 7
Mid Mid (pH 6-8) 3.32 11.22 -45.69 3 8 1 91 492 7

Activity (Go SEA)

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