UCSF

ZINC37811380

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.14 6.11 -49.55 3 5 1 64 356.288 5
Mid Mid (pH 6-8) 2.14 5.77 -10.14 2 5 0 62 355.28 5

Activity (Go SEA)

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