UCSF

ZINC21793907

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 4.01 11.41 -39.47 2 6 1 63 402.522 4
Mid Mid (pH 6-8) 4.01 11.25 -35.09 2 6 1 63 402.522 4
Mid Mid (pH 6-8) 4.01 10.98 -12.31 1 6 0 61 401.514 4

Activity (Go SEA)

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