UCSF

ZINC15919871

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 28 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) 2.13 6.46 -56.86 1 8 -1 126 381.364 6
Mid Mid (pH 6-8) 2.58 5.43 -26.58 2 8 0 124 382.372 5
Mid Mid (pH 6-8) 1.55 6.4 -19.89 1 8 0 121 382.372 6

Activity (Go SEA)

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