UCSF

ZINC37844980

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 3.40 7.6 -48.13 2 3 1 34 366.201 5
Mid Mid (pH 6-8) 3.40 5.28 -8.77 1 3 0 32 365.193 5

Activity (Go SEA)

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