UCSF

ZINC20510553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 17 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) 1.03 4.59 -41.26 3 3 1 46 238.351 5
Hi High (pH 8-9.5) 1.03 4.33 -4.13 2 3 0 44 237.343 5

Activity (Go SEA)

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