UCSF

ZINC13692610

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 No

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 5.2 -10.97 0 6 0 65 364.401 3
Lo Low (pH 4.5-6) 1.99 8.46 -98.02 2 6 2 67 366.417 3

Activity (Go SEA)

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