UCSF

ZINC37080714

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.82 8.61 -113.8 4 3 2 41 284.403 6
Hi High (pH 8-9.5) 2.82 8.24 -33.94 3 3 1 40 283.395 6
Mid Mid (pH 6-8) 2.82 6.69 -43.44 3 3 1 40 283.395 6

Activity (Go SEA)

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