UCSF

ZINC16740272

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 22 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) 2.86 6.18 -9.29 1 5 0 73 301.342 3
Lo Low (pH 4.5-6) 2.86 6.46 -36.48 2 5 1 74 302.35 3

Activity (Go SEA)

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