UCSF

ZINC19817479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 33 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) 2.30 10.42 -17.82 1 8 0 80 455.465 6
Mid Mid (pH 6-8) 2.30 12.75 -47.84 2 8 1 81 456.473 6

Activity (Go SEA)

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