UCSF

ZINC17180867

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 30 No

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) 2.82 11.34 -74.74 1 8 0 111 409.442 7
Hi High (pH 8-9.5) 2.82 8.8 -55.03 0 8 -1 109 408.434 7
Lo Low (pH 4.5-6) 2.82 10.51 -61.26 2 8 1 108 410.45 7

Activity (Go SEA)

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