UCSF

ZINC34942821

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 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) 3.44 12.88 -72.64 1 8 0 111 437.496 8
Lo Low (pH 4.5-6) 3.44 11.98 -51.03 2 8 1 108 438.504 8

Activity (Go SEA)

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