UCSF

ZINC20967338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) 1.21 3.1 -117.88 5 4 2 63 254.374 10
Lo Low (pH 4.5-6) 1.21 1.66 -38.58 4 4 1 58 253.366 10

Activity (Go SEA)

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