UCSF

ZINC37044679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.62 0.54 -46.94 4 6 1 92 302.351 4
Hi High (pH 8-9.5) 0.62 -0.51 -56.36 2 6 -1 89 300.335 4
Mid Mid (pH 6-8) 0.62 0.72 -68.98 3 6 0 94 301.343 4

Activity (Go SEA)

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