UCSF

ZINC21784655

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 35 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) 3.31 6.74 -54.21 3 9 -1 140 493.565 9
Mid Mid (pH 6-8) 2.85 7.86 -26.01 4 9 0 136 494.573 9

Activity (Go SEA)

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