UCSF

ZINC20686041

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 31 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) 4.62 10.93 -48.71 2 6 1 57 464.417 8
Hi High (pH 8-9.5) 4.62 8.93 -14.22 1 6 0 56 463.409 8

Activity (Go SEA)

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