UCSF

ZINC21629398

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 29 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) 2.74 4.82 -62.72 2 7 1 80 426.465 6
Mid Mid (pH 6-8) 2.74 5.72 -17.08 1 7 0 79 425.457 6

Activity (Go SEA)

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