UCSF

ZINC21923609

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 30 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) 2.97 6.88 -68.86 2 8 1 97 432.522 8
Mid Mid (pH 6-8) 2.97 7.77 -21.75 1 8 0 96 431.514 8

Activity (Go SEA)

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