UCSF

ZINC36754570

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) -1.91 3.12 -105.82 8 7 2 123 225.3 2
Hi High (pH 8-9.5) -1.91 0.88 -46.78 7 7 1 122 224.292 2
Mid Mid (pH 6-8) -1.91 2.79 -34.83 7 7 1 121 224.292 2

Activity (Go SEA)

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