UCSF

ZINC21816587

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 3.85 9.7 -29.67 2 2 1 16 307.82 6
Lo Low (pH 4.5-6) 3.85 10.93 -107.41 3 2 2 21 308.828 6

Activity (Go SEA)

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