UCSF

ZINC21794101

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 31 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) 5.04 11.44 -39.03 3 7 1 81 420.537 9
Mid Mid (pH 6-8) 5.04 11.36 -35.8 3 7 1 81 420.537 9
Mid Mid (pH 6-8) 5.04 11.09 -16.43 2 7 0 79 419.529 9

Activity (Go SEA)

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