UCSF

ZINC03345792

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 26 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) 3.86 -4.62 -13.59 1 5 0 66 413.326 4
Hi High (pH 8-9.5) 3.86 -4.04 -38.7 0 5 -1 68 412.318 4

Activity (Go SEA)

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