UCSF

ZINC22170200

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 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) 1.41 2.69 -44.93 3 2 1 31 211.354 3
Mid Mid (pH 6-8) 1.41 5.51 -26.68 3 2 1 30 211.354 3
Lo Low (pH 4.5-6) 1.41 4.95 -126.86 4 2 2 32 212.362 3

Activity (Go SEA)

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