UCSF

ZINC21146903

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 35 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) 4.75 9.63 -12.13 1 7 0 67 468.557 6
Mid Mid (pH 6-8) 4.75 10.05 -39.36 2 7 1 68 469.565 6

Activity (Go SEA)

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