UCSF

ZINC35502036

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 5.54 9.84 -35.91 2 1 1 17 333.329 3
Mid Mid (pH 6-8) 5.54 8.83 -2.24 1 1 0 12 332.321 3

Activity (Go SEA)

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