UCSF

ZINC36367175

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 -1.74 -14.25 4 9 0 132 343.343 3
Ref Reference (pH 7) -0.12 1.03 -16.9 4 9 0 128 343.343 3
Hi High (pH 8-9.5) 0.25 -4.65 -61.93 3 9 -1 138 342.335 3
Hi High (pH 8-9.5) 0.06 -1.98 -70.01 3 9 -1 135 342.335 3

Activity (Go SEA)

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