UCSF

ZINC44825856

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 15 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) 1.67 5.06 -21.77 1 4 0 66 221.285 2
Hi High (pH 8-9.5) 1.86 3.75 -45.18 0 4 -1 72 220.277 2

Activity (Go SEA)

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