UCSF

ZINC21784131

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 23 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) 1.74 3.77 -15.4 3 6 0 95 327.365 3
Mid Mid (pH 6-8) 2.19 2.65 -43.86 2 6 -1 98 326.357 3

Activity (Go SEA)

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