UCSF

ZINC18895572

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2008 21 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) 3.18 4.97 -14.44 1 5 0 79 322.773 5
Hi High (pH 8-9.5) 3.18 5.07 -43.44 0 5 -1 81 321.765 5

Activity (Go SEA)

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