UCSF

ZINC08682566

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 35 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) 5.20 9.35 -13.14 4 7 0 110 488.613 5
Lo Low (pH 4.5-6) 5.20 9.74 -39.88 5 7 1 111 489.621 5

Activity (Go SEA)

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