UCSF

ZINC26509524

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 19 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) 0.04 2.98 -104.24 5 5 2 79 266.341 7
Hi High (pH 8-9.5) 0.04 0.82 -8.85 3 5 0 76 264.325 7
Mid Mid (pH 6-8) 0.04 1.19 -43.07 4 5 1 77 265.333 7

Activity (Go SEA)

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