UCSF

ZINC35870258

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 35 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) 4.28 12.59 -16.16 1 8 0 94 491.979 6
Lo Low (pH 4.5-6) 4.28 13.08 -49.4 2 8 1 96 492.987 6

Activity (Go SEA)

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