UCSF

ZINC04265594

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 23 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) 1.99 6.58 -12.13 1 6 0 87 302.341 4
Lo Low (pH 4.5-6) 1.99 6.95 -45.32 2 6 1 89 303.349 4

Activity (Go SEA)

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