UCSF

ZINC16661587

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 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) 3.31 4.97 -21.31 1 7 0 101 422.528 4
Hi High (pH 8-9.5) 3.31 5.04 -56.23 0 7 -1 103 421.52 4

Activity (Go SEA)

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