UCSF

ZINC22563135

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 19 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) 1.60 7.65 -31.52 3 3 1 40 265.421 9
Mid Mid (pH 6-8) 1.60 7.9 -127.46 4 3 2 41 266.429 9

Activity (Go SEA)

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