UCSF

ZINC20510761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 18 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) 1.76 6.57 -45.19 3 2 1 37 244.358 4
Hi High (pH 8-9.5) 1.76 6.16 -4.84 2 2 0 35 243.35 4

Activity (Go SEA)

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