UCSF

ZINC36355097

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 1.17 1.44 -13.76 1 8 0 98 336.355 3
Ref Reference (pH 7) 0.98 4.16 -12.14 1 8 0 95 336.355 3
Lo Low (pH 4.5-6) 1.17 1.93 -50.86 2 8 1 100 337.363 3
Lo Low (pH 4.5-6) 0.98 4.66 -50.79 2 8 1 96 337.363 3

Activity (Go SEA)

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