UCSF

ZINC20314872

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 27 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) 1.18 4.85 -72.14 3 6 0 97 366.417 8
Hi High (pH 8-9.5) 1.18 3.37 -62.57 2 6 -1 93 365.409 8

Activity (Go SEA)

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