UCSF

ZINC36670326

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 4.51 8.69 -131.15 4 2 2 32 347.316 9
Hi High (pH 8-9.5) 4.51 9.45 -33.61 3 2 1 30 346.308 9
Mid Mid (pH 6-8) 4.51 7.74 -46.16 3 2 1 31 346.308 9

Activity (Go SEA)

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