UCSF

ZINC36358376

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 23 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) 1.23 1.96 -14.88 2 7 0 89 314.345 2
Ref Reference (pH 7) 1.04 4.73 -18.58 2 7 0 85 314.345 2
Hi High (pH 8-9.5) 1.41 -1.1 -54.36 1 7 -1 95 313.337 2
Hi High (pH 8-9.5) 1.23 1.58 -59.22 1 7 -1 92 313.337 2

Activity (Go SEA)

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