UCSF

ZINC37759564

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 17 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) 0.25 2.72 -75.55 5 5 2 60 237.351 4
Hi High (pH 8-9.5) 0.25 -0.01 -6.02 3 5 0 57 235.335 4
Mid Mid (pH 6-8) 0.25 2.36 -36.76 4 5 1 59 236.343 4

Activity (Go SEA)

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