UCSF

ZINC35054454

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) 2.32 6.25 -29.32 2 2 1 16 197.346 5
Mid Mid (pH 6-8) 2.32 5.23 -36.84 2 2 1 20 197.346 5
Lo Low (pH 4.5-6) 2.32 7.43 -99 3 2 2 21 198.354 5

Activity (Go SEA)

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