UCSF

ZINC36950324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 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) 1.00 4.41 -99.64 4 3 2 41 214.353 5
Hi High (pH 8-9.5) 1.00 4.95 -38.58 3 3 1 44 213.345 5
Hi High (pH 8-9.5) 1.00 3.12 -34.07 3 3 1 37 213.345 5

Activity (Go SEA)

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