UCSF

ZINC44822652

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) 0.92 4.11 -11.63 1 5 0 79 212.249 5
Hi High (pH 8-9.5) 1.11 2.36 -42.45 0 5 -1 86 211.241 5

Activity (Go SEA)

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