UCSF

ZINC21578663

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 25 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) 2.45 7.14 -48.1 1 7 0 93 347.415 5
Mid Mid (pH 6-8) 1.99 8.21 -60.17 2 7 1 90 348.423 5

Activity (Go SEA)

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