UCSF

ZINC54333098

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2010 33 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) 3.21 7.79 -12.88 0 7 0 74 444.487 5
Lo Low (pH 4.5-6) 3.21 8.26 -46.42 1 7 1 75 445.495 5

Activity (Go SEA)

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