UCSF

ZINC36367176

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 25 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) 0.06 -3.1 -15.53 4 9 0 132 343.343 3
Ref Reference (pH 7) -0.12 -0.41 -14.99 4 9 0 128 343.343 3
Hi High (pH 8-9.5) 0.25 -4.63 -60.06 3 9 -1 138 342.335 3
Hi High (pH 8-9.5) 0.06 -2 -58.44 3 9 -1 135 342.335 3

Activity (Go SEA)

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