UCSF

ZINC37854571

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.27 1.77 -43.12 3 4 1 49 257.398 6
Mid Mid (pH 6-8) 1.27 4.03 -108.82 4 4 2 51 258.406 6

Activity (Go SEA)

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