UCSF

ZINC09884925

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 25 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) 3.92 -4.15 -14.27 1 5 0 80 381.519 4
Hi High (pH 8-9.5) 3.92 -3.83 -42.48 0 5 -1 82 380.511 4

Activity (Go SEA)

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