UCSF

ZINC37856194

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) 1.45 2.9 -42.13 4 3 1 60 211.26 5
Mid Mid (pH 6-8) 1.45 1.82 -8.77 3 3 0 55 210.252 5

Activity (Go SEA)

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