UCSF

ZINC22362752

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 28 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) 3.95 9.25 -43.19 2 7 -1 98 374.424 3
Mid Mid (pH 6-8) 3.19 10.74 -28.33 2 7 0 90 375.432 2
Mid Mid (pH 6-8) 3.95 8.57 -116.11 1 7 -2 100 373.416 3

Activity (Go SEA)

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